1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole

C108H67N11 — CID 149010944

IUPAC1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4ncnc(-c5ccccc5-c5cccc6c7ccccc7n(-c7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8-c8nc(-c9ccccc9-n9c%10ccccc%10c%10ccccc%109)nc(-c9ccccc9-n9c%10ccccc%10c%10ccccc%109)n8)c7)c56)n4)c32)cc1
InChIInChI=1S/C108H67N11/c1-2-32-70(33-3-1)115-91-53-18-12-41-78(91)83-51-29-49-81(102(83)115)72-35-4-6-44-85(72)104-109-67-110-105(111-104)86-45-7-5-36-73(86)82-50-30-52-84-79-42-13-19-54-92(79)116(103(82)84)71-34-28-31-68(65-71)69-63-64-101-90(66-69)80-43-14-24-59-97(80)119(101)100-62-27-17-48-89(100)108-113-106(87-46-15-25-60-98(87)117-93-55-20-8-37-74(93)75-38-9-21-56-94(75)117)112-107(114-108)88-47-16-26-61-99(88)118-95-57-22-10-39-76(95)77-40-11-23-58-96(77)118/h1-67H
InChIKeyQBNDOWDMBKEYRO-UHFFFAOYSA-N
MW1518.80 g/mol
LogP26.88
Rot. Bonds13

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

1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 149010944) has the molecular formula C108H67N11 and a molecular weight of 1518.80 g/mol. Its IUPAC name is 1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
PubChem CID149010944
Molecular FormulaC108H67N11
Molecular Weight1518.80 g/mol
Exact Mass1517.56
IUPAC Name1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4ncnc(-c5ccccc5-c5cccc6c7ccccc7n(-c7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8-c8nc(-c9ccccc9-n9c%10ccccc%10c%10ccccc%109)nc(-c9ccccc9-n9c%10ccccc%10c%10ccccc%109)n8)c7)c56)n4)c32)cc1
InChIInChI=1S/C108H67N11/c1-2-32-70(33-3-1)115-91-53-18-12-41-78(91)83-51-29-49-81(102(83)115)72-35-4-6-44-85(72)104-109-67-110-105(111-104)86-45-7-5-36-73(86)82-50-30-52-84-79-42-13-19-54-92(79)116(103(82)84)71-34-28-31-68(65-71)69-63-64-101-90(66-69)80-43-14-24-59-97(80)119(101)100-62-27-17-48-89(100)108-113-106(87-46-15-25-60-98(87)117-93-55-20-8-37-74(93)75-38-9-21-56-94(75)117)112-107(114-108)88-47-16-26-61-99(88)118-95-57-22-10-39-76(95)77-40-11-23-58-96(77)118/h1-67H
InChIKeyQBNDOWDMBKEYRO-UHFFFAOYSA-N
XLogP26.88
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001518.80
LogP ≤ 526.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Related Compounds

1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807821
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 166037123
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole
CID 138599572
1-[3-[4-phenanthren-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807754
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene
CID 145085430
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 146573232

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole (CID 149010944) is 1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4ncnc(-c5ccccc5-c5cccc6c7ccccc7n(-c7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8-c8nc(-c9ccccc9-n9c%10ccccc%10c%10ccccc%109)nc(-c9ccccc9-n9c%10ccccc%10c%10ccccc%109)n8)c7)c56)n4)c32)cc1.
What is the InChIKey of 1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is QBNDOWDMBKEYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H67N11/c1-2-32-70(33-3-1)115-91-53-18-12-41-78(91)83-51-29-49-81(102(83)115)72-35-4-6-44-85(72)104-109-67-110-105(111-104)86-45-7-5-36-73(86)82-50-30-52-84-79-42-13-19-54-92(79)116(103(82)84)71-34-28-31-68(65-71)69-63-64-101-90(66-69)80-43-14-24-59-97(80)119(101)100-62-27-17-48-89(100)108-113-106(87-46-15-25-60-98(87)117-93-55-20-8-37-74(93)75-38-9-21-56-94(75)117)112-107(114-108)88-47-16-26-61-99(88)118-95-57-22-10-39-76(95)77-40-11-23-58-96(77)118/h1-67H.
What are the key properties of 1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?
1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 1518.80 g/mol, XLogP of 26.88, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 149010944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).