9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole

C169H105F6N15 — CID 163526461

IUPAC9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7C)ccc65)c(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7-c7ccc(-n8c9ccc(C(F)(F)F)cc9c9cc(C(F)(F)F)ccc98)c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)cc6)n5)c4)cc3)n2)c1
InChIInChI=1S/C169H105F6N15/c1-102-38-35-48-112(94-102)113-80-87-148-132(95-113)128-55-22-31-66-144(128)186(148)152-89-82-115(121-50-17-26-61-139(121)185-142-64-29-20-53-126(142)127-54-21-30-65-143(127)185)97-136(152)166-181-161(108-44-11-5-12-45-108)177-163(183-166)110-76-72-104(73-77-110)124-59-36-70-155-157(124)130-57-24-33-68-146(130)189(155)140-62-27-18-51-122(140)116-83-90-153(187-145-67-32-23-56-129(145)133-96-114(81-88-149(133)187)120-49-16-15-39-103(120)2)137(98-116)167-182-162(109-46-13-6-14-47-109)178-164(184-167)111-78-74-105(75-79-111)125-60-37-71-156-158(125)131-58-25-34-69-147(131)190(156)141-63-28-19-52-123(141)117-84-91-154(138(99-117)165-179-159(106-40-7-3-8-41-106)176-160(180-165)107-42-9-4-10-43-107)188-150-92-85-118(168(170,171)172)100-134(150)135-101-119(169(173,174)175)86-93-151(135)188/h3-101H,1-2H3
InChIKeyDPEVIIVHPFKHMA-UHFFFAOYSA-N
MW2459.79 g/mol
LogP44.15
Rot. Bonds22

About 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole

9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 163526461) has the molecular formula C169H105F6N15 and a molecular weight of 2459.79 g/mol. Its IUPAC name is 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID163526461
Molecular FormulaC169H105F6N15
Molecular Weight2459.79 g/mol
Exact Mass2457.86
IUPAC Name9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7C)ccc65)c(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7-c7ccc(-n8c9ccc(C(F)(F)F)cc9c9cc(C(F)(F)F)ccc98)c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)cc6)n5)c4)cc3)n2)c1
InChIInChI=1S/C169H105F6N15/c1-102-38-35-48-112(94-102)113-80-87-148-132(95-113)128-55-22-31-66-144(128)186(148)152-89-82-115(121-50-17-26-61-139(121)185-142-64-29-20-53-126(142)127-54-21-30-65-143(127)185)97-136(152)166-181-161(108-44-11-5-12-45-108)177-163(183-166)110-76-72-104(73-77-110)124-59-36-70-155-157(124)130-57-24-33-68-146(130)189(155)140-62-27-18-51-122(140)116-83-90-153(187-145-67-32-23-56-129(145)133-96-114(81-88-149(133)187)120-49-16-15-39-103(120)2)137(98-116)167-182-162(109-46-13-6-14-47-109)178-164(184-167)111-78-74-105(75-79-111)125-60-37-71-156-158(125)131-58-25-34-69-147(131)190(156)141-63-28-19-52-123(141)117-84-91-154(138(99-117)165-179-159(106-40-7-3-8-41-106)176-160(180-165)107-42-9-4-10-43-107)188-150-92-85-118(168(170,171)172)100-134(150)135-101-119(169(173,174)175)86-93-151(135)188/h3-101H,1-2H3
InChIKeyDPEVIIVHPFKHMA-UHFFFAOYSA-N
XLogP44.15
TPSA145.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002459.79
LogP ≤ 544.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole with MolForge

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Related Compounds

3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 155233083
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole
CID 138554819
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 162500631
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(3-methylphenyl)carbazole
CID 138554822
2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole;3-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-2,7-dimethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-3,6-dimethylcarbazole
CID 159627713
9-[3-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(2-methylphenyl)carbazole;9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(3-methylphenyl)carbazole;9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(4-methylphenyl)carbazole
CID 158428672
9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155279556
3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 161317622
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 153252844
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 161015252
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 138565349
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 163662138

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 163526461) is 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7C)ccc65)c(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7-c7ccc(-n8c9ccc(C(F)(F)F)cc9c9cc(C(F)(F)F)ccc98)c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)cc6)n5)c4)cc3)n2)c1.
What is the InChIKey of 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is DPEVIIVHPFKHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C169H105F6N15/c1-102-38-35-48-112(94-102)113-80-87-148-132(95-113)128-55-22-31-66-144(128)186(148)152-89-82-115(121-50-17-26-61-139(121)185-142-64-29-20-53-126(142)127-54-21-30-65-143(127)185)97-136(152)166-181-161(108-44-11-5-12-45-108)177-163(183-166)110-76-72-104(73-77-110)124-59-36-70-155-157(124)130-57-24-33-68-146(130)189(155)140-62-27-18-51-122(140)116-83-90-153(187-145-67-32-23-56-129(145)133-96-114(81-88-149(133)187)120-49-16-15-39-103(120)2)137(98-116)167-182-162(109-46-13-6-14-47-109)178-164(184-167)111-78-74-105(75-79-111)125-60-37-71-156-158(125)131-58-25-34-69-147(131)190(156)141-63-28-19-52-123(141)117-84-91-154(138(99-117)165-179-159(106-40-7-3-8-41-106)176-160(180-165)107-42-9-4-10-43-107)188-150-92-85-118(168(170,171)172)100-134(150)135-101-119(169(173,174)175)86-93-151(135)188/h3-101H,1-2H3.
What are the key properties of 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 2459.79 g/mol, XLogP of 44.15, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 163526461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).