9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

C166H103N11 — CID 126630575

IUPAC9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5cc(-c6cccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)nc(-c6cccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)n5)cc4)ccc32)cc1
InChIInChI=1S/C166H103N11/c1-7-35-119(36-8-1)169-148-55-25-19-49-128(148)134-91-105(63-77-154(134)169)111-69-83-160-140(97-111)141-98-112(106-64-78-155-135(92-106)129-50-20-26-56-149(129)170(155)120-37-9-2-10-38-120)70-84-161(141)175(160)125-75-61-104(62-76-125)146-103-147(117-33-31-47-126(89-117)176-162-85-71-113(107-65-79-156-136(93-107)130-51-21-27-57-150(130)171(156)121-39-11-3-12-40-121)99-142(162)143-100-114(72-86-163(143)176)108-66-80-157-137(94-108)131-52-22-28-58-151(131)172(157)122-41-13-4-14-42-122)168-166(167-146)118-34-32-48-127(90-118)177-164-87-73-115(109-67-81-158-138(95-109)132-53-23-29-59-152(132)173(158)123-43-15-5-16-44-123)101-144(164)145-102-116(74-88-165(145)177)110-68-82-159-139(96-110)133-54-24-30-60-153(133)174(159)124-45-17-6-18-46-124/h1-103H
InChIKeyBYJHNCJJFNNYQS-UHFFFAOYSA-N
MW2251.73 g/mol
LogP43.35
Rot. Bonds18

About 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 126630575) has the molecular formula C166H103N11 and a molecular weight of 2251.73 g/mol. Its IUPAC name is 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID126630575
Molecular FormulaC166H103N11
Molecular Weight2251.73 g/mol
Exact Mass2249.84
IUPAC Name9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5cc(-c6cccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)nc(-c6cccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)n5)cc4)ccc32)cc1
InChIInChI=1S/C166H103N11/c1-7-35-119(36-8-1)169-148-55-25-19-49-128(148)134-91-105(63-77-154(134)169)111-69-83-160-140(97-111)141-98-112(106-64-78-155-135(92-106)129-50-20-26-56-149(129)170(155)120-37-9-2-10-38-120)70-84-161(141)175(160)125-75-61-104(62-76-125)146-103-147(117-33-31-47-126(89-117)176-162-85-71-113(107-65-79-156-136(93-107)130-51-21-27-57-150(130)171(156)121-39-11-3-12-40-121)99-142(162)143-100-114(72-86-163(143)176)108-66-80-157-137(94-108)131-52-22-28-58-151(131)172(157)122-41-13-4-14-42-122)168-166(167-146)118-34-32-48-127(90-118)177-164-87-73-115(109-67-81-158-138(95-109)132-53-23-29-59-152(132)173(158)123-43-15-5-16-44-123)101-144(164)145-102-116(74-88-165(145)177)110-68-82-159-139(96-110)133-54-24-30-60-153(133)174(159)124-45-17-6-18-46-124/h1-103H
InChIKeyBYJHNCJJFNNYQS-UHFFFAOYSA-N
XLogP43.35
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002251.73
LogP ≤ 543.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole with MolForge

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Related Compounds

9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 126630464
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159883795
3-[9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 145309043
bis(3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole);2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157084696
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901397
9-[3-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901389
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209021
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 126630575) is 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5cc(-c6cccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)nc(-c6cccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)n5)cc4)ccc32)cc1.
What is the InChIKey of 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is BYJHNCJJFNNYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C166H103N11/c1-7-35-119(36-8-1)169-148-55-25-19-49-128(148)134-91-105(63-77-154(134)169)111-69-83-160-140(97-111)141-98-112(106-64-78-155-135(92-106)129-50-20-26-56-149(129)170(155)120-37-9-2-10-38-120)70-84-161(141)175(160)125-75-61-104(62-76-125)146-103-147(117-33-31-47-126(89-117)176-162-85-71-113(107-65-79-156-136(93-107)130-51-21-27-57-150(130)171(156)121-39-11-3-12-40-121)99-142(162)143-100-114(72-86-163(143)176)108-66-80-157-137(94-108)131-52-22-28-58-151(131)172(157)122-41-13-4-14-42-122)168-166(167-146)118-34-32-48-127(90-118)177-164-87-73-115(109-67-81-158-138(95-109)132-53-23-29-59-152(132)173(158)123-43-15-5-16-44-123)101-144(164)145-102-116(74-88-165(145)177)110-68-82-159-139(96-110)133-54-24-30-60-153(133)174(159)124-45-17-6-18-46-124/h1-103H.
What are the key properties of 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 2251.73 g/mol, XLogP of 43.35, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 126630575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).