3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole

C168H98F12N12 — CID 155463332

IUPAC3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5-c5ccccc5-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)n3)cccc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C168H98F12N12/c169-165(170,171)109-84-107(85-110(91-109)166(172,173)174)104-70-77-153-131(89-104)124-50-17-28-63-148(124)189(153)150-65-30-19-52-126(150)161-129(55-33-67-159(161)191-149-64-29-18-51-125(149)132-90-105(71-78-154(132)191)108-86-111(167(175,176)177)92-112(87-108)168(178,179)180)164-183-139(101-39-8-3-9-40-101)98-140(184-164)106-42-32-41-102(83-106)103-69-76-152-130(88-103)123-49-16-27-62-147(123)188(152)116-75-82-158-136(96-116)135-95-115(187-145-60-25-14-47-121(145)122-48-15-26-61-146(122)187)74-81-157(135)192(158)160-68-34-54-128(163-181-137(99-35-4-1-5-36-99)97-138(182-163)100-37-6-2-7-38-100)162(160)127-53-20-31-66-151(127)190-155-79-72-113(185-141-56-21-10-43-117(141)118-44-11-22-57-142(118)185)93-133(155)134-94-114(73-80-156(134)190)186-143-58-23-12-45-119(143)120-46-13-24-59-144(120)186/h1-98H
InChIKeyVNWRXLPKAPYLDN-UHFFFAOYSA-N
MW2512.69 g/mol
LogP46.46
Rot. Bonds19

About 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole

3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 155463332) has the molecular formula C168H98F12N12 and a molecular weight of 2512.69 g/mol. Its IUPAC name is 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
PubChem CID155463332
Molecular FormulaC168H98F12N12
Molecular Weight2512.69 g/mol
Exact Mass2510.78
IUPAC Name3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5-c5ccccc5-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)n3)cccc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C168H98F12N12/c169-165(170,171)109-84-107(85-110(91-109)166(172,173)174)104-70-77-153-131(89-104)124-50-17-28-63-148(124)189(153)150-65-30-19-52-126(150)161-129(55-33-67-159(161)191-149-64-29-18-51-125(149)132-90-105(71-78-154(132)191)108-86-111(167(175,176)177)92-112(87-108)168(178,179)180)164-183-139(101-39-8-3-9-40-101)98-140(184-164)106-42-32-41-102(83-106)103-69-76-152-130(88-103)123-49-16-27-62-147(123)188(152)116-75-82-158-136(96-116)135-95-115(187-145-60-25-14-47-121(145)122-48-15-26-61-146(122)187)74-81-157(135)192(158)160-68-34-54-128(163-181-137(99-35-4-1-5-36-99)97-138(182-163)100-37-6-2-7-38-100)162(160)127-53-20-31-66-151(127)190-155-79-72-113(185-141-56-21-10-43-117(141)118-44-11-22-57-142(118)185)93-133(155)134-94-114(73-80-156(134)190)186-143-58-23-12-45-119(143)120-46-13-24-59-144(120)186/h1-98H
InChIKeyVNWRXLPKAPYLDN-UHFFFAOYSA-N
XLogP46.46
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002512.69
LogP ≤ 546.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole (CID 155463332) is 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole is FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5-c5ccccc5-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)n3)cccc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is VNWRXLPKAPYLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C168H98F12N12/c169-165(170,171)109-84-107(85-110(91-109)166(172,173)174)104-70-77-153-131(89-104)124-50-17-28-63-148(124)189(153)150-65-30-19-52-126(150)161-129(55-33-67-159(161)191-149-64-29-18-51-125(149)132-90-105(71-78-154(132)191)108-86-111(167(175,176)177)92-112(87-108)168(178,179)180)164-183-139(101-39-8-3-9-40-101)98-140(184-164)106-42-32-41-102(83-106)103-69-76-152-130(88-103)123-49-16-27-62-147(123)188(152)116-75-82-158-136(96-116)135-95-115(187-145-60-25-14-47-121(145)122-48-15-26-61-146(122)187)74-81-157(135)192(158)160-68-34-54-128(163-181-137(99-35-4-1-5-36-99)97-138(182-163)100-37-6-2-7-38-100)162(160)127-53-20-31-66-151(127)190-155-79-72-113(185-141-56-21-10-43-117(141)118-44-11-22-57-142(118)185)93-133(155)134-94-114(73-80-156(134)190)186-143-58-23-12-45-119(143)120-46-13-24-59-144(120)186/h1-98H.
What are the key properties of 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 2512.69 g/mol, XLogP of 46.46, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[2-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazol-9-yl]-6-carbazol-9-yl-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 155463332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).