5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

C182H108N22 — CID 146626417

IUPAC5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cc(-n5c6ccccc6c6cc(-c7ccc(-n8c9ccccc9n9c%10ccccc%10nc89)c(-c8nc(-n9c%10ccccc%10c%10ccccc%109)cc(-n9c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10c%10ccc(-c%11ccc(-c%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)nc(-n%13c%14ccccc%14c%14cc(-n%15c%16ccccc%16c%16ccccc%16%15)ccc%14%13)n%12)c(-n%12c%13ccccc%13n%13c%14ccccc%14nc%12%13)c%11)cc%109)n8)c7)ccc65)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1
InChIInChI=1S/C182H108N22/c1-2-42-115(43-3-1)191-149-65-25-14-54-128(149)135-98-109(84-92-160(135)191)110-85-93-161-136(99-110)129-55-15-26-66-150(129)194(161)159-75-35-18-58-133(159)143-106-175(190-179(183-143)199-156-72-32-12-52-126(156)127-53-13-33-73-157(127)199)197-155-71-31-16-56-130(155)137-100-111(86-94-162(137)197)112-87-95-165(201-168-78-38-39-79-169(168)202-166-76-36-19-59-141(166)185-181(201)202)140(101-112)178-187-176(196-153-69-29-10-50-124(153)125-51-11-30-70-154(125)196)108-177(188-178)198-163-96-88-116(192-145-61-21-4-44-118(145)119-45-5-22-62-146(119)192)105-139(163)132-90-82-113(102-172(132)198)114-83-91-134(173(103-114)204-171-81-41-40-80-170(171)203-167-77-37-20-60-142(167)186-182(203)204)144-107-174(195-151-67-27-8-48-122(151)123-49-9-28-68-152(123)195)189-180(184-144)200-158-74-34-17-57-131(158)138-104-117(89-97-164(138)200)193-147-63-23-6-46-120(147)121-47-7-24-64-148(121)193/h1-108H
InChIKeyRRMWVGBATGFRIW-UHFFFAOYSA-N
MW2603.02 g/mol
LogP44.52
Rot. Bonds18

About 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 146626417) has the molecular formula C182H108N22 and a molecular weight of 2603.02 g/mol. Its IUPAC name is 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID146626417
Molecular FormulaC182H108N22
Molecular Weight2603.02 g/mol
Exact Mass2600.91
IUPAC Name5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cc(-n5c6ccccc6c6cc(-c7ccc(-n8c9ccccc9n9c%10ccccc%10nc89)c(-c8nc(-n9c%10ccccc%10c%10ccccc%109)cc(-n9c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10c%10ccc(-c%11ccc(-c%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)nc(-n%13c%14ccccc%14c%14cc(-n%15c%16ccccc%16c%16ccccc%16%15)ccc%14%13)n%12)c(-n%12c%13ccccc%13n%13c%14ccccc%14nc%12%13)c%11)cc%109)n8)c7)ccc65)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1
InChIInChI=1S/C182H108N22/c1-2-42-115(43-3-1)191-149-65-25-14-54-128(149)135-98-109(84-92-160(135)191)110-85-93-161-136(99-110)129-55-15-26-66-150(129)194(161)159-75-35-18-58-133(159)143-106-175(190-179(183-143)199-156-72-32-12-52-126(156)127-53-13-33-73-157(127)199)197-155-71-31-16-56-130(155)137-100-111(86-94-162(137)197)112-87-95-165(201-168-78-38-39-79-169(168)202-166-76-36-19-59-141(166)185-181(201)202)140(101-112)178-187-176(196-153-69-29-10-50-124(153)125-51-11-30-70-154(125)196)108-177(188-178)198-163-96-88-116(192-145-61-21-4-44-118(145)119-45-5-22-62-146(119)192)105-139(163)132-90-82-113(102-172(132)198)114-83-91-134(173(103-114)204-171-81-41-40-80-170(171)203-167-77-37-20-60-142(167)186-182(203)204)144-107-174(195-151-67-27-8-48-122(151)123-49-9-28-68-152(123)195)189-180(184-144)200-158-74-34-17-57-131(158)138-104-117(89-97-164(138)200)193-147-63-23-6-46-120(147)121-47-7-24-64-148(121)193/h1-108H
InChIKeyRRMWVGBATGFRIW-UHFFFAOYSA-N
XLogP44.52
TPSA171.10 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002603.02
LogP ≤ 544.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

5-[2-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[2-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;3-carbazol-9-yl-9-[2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]carbazole;3-[9-[2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158971791
3-carbazol-9-yl-9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazole;3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]carbazole;3-carbazol-9-yl-9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazole;5-[9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 161109252
5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146626082
5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 146626433
9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630673
5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrimidin-2-yl]benzimidazolo[1,2-a]benzimidazole;5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole;5-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 162014361
2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 146625799
9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 158402871
9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158761095
3-(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
CID 134236891
3-[9-[4-(2,6-diphenylphenyl)-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236901
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 161289745

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (CID 146626417) is 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cc(-n5c6ccccc6c6cc(-c7ccc(-n8c9ccccc9n9c%10ccccc%10nc89)c(-c8nc(-n9c%10ccccc%10c%10ccccc%109)cc(-n9c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10c%10ccc(-c%11ccc(-c%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)nc(-n%13c%14ccccc%14c%14cc(-n%15c%16ccccc%16c%16ccccc%16%15)ccc%14%13)n%12)c(-n%12c%13ccccc%13n%13c%14ccccc%14nc%12%13)c%11)cc%109)n8)c7)ccc65)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1.
What is the InChIKey of 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is RRMWVGBATGFRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C182H108N22/c1-2-42-115(43-3-1)191-149-65-25-14-54-128(149)135-98-109(84-92-160(135)191)110-85-93-161-136(99-110)129-55-15-26-66-150(129)194(161)159-75-35-18-58-133(159)143-106-175(190-179(183-143)199-156-72-32-12-52-126(156)127-53-13-33-73-157(127)199)197-155-71-31-16-56-130(155)137-100-111(86-94-162(137)197)112-87-95-165(201-168-78-38-39-79-169(168)202-166-76-36-19-59-141(166)185-181(201)202)140(101-112)178-187-176(196-153-69-29-10-50-124(153)125-51-11-30-70-154(125)196)108-177(188-178)198-163-96-88-116(192-145-61-21-4-44-118(145)119-45-5-22-62-146(119)192)105-139(163)132-90-82-113(102-172(132)198)114-83-91-134(173(103-114)204-171-81-41-40-80-170(171)203-167-77-37-20-60-142(167)186-182(203)204)144-107-174(195-151-67-27-8-48-122(151)123-49-9-28-68-152(123)195)189-180(184-144)200-158-74-34-17-57-131(158)138-104-117(89-97-164(138)200)193-147-63-23-6-46-120(147)121-47-7-24-64-148(121)193/h1-108H.
What are the key properties of 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 2603.02 g/mol, XLogP of 44.52, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-6-carbazol-9-ylcarbazol-9-yl]-6-carbazol-9-ylpyrimidin-2-yl]-4-[9-[2-carbazol-9-yl-6-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 146626417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).