3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole

C74H46N6 — CID 126632833

IUPAC3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c6ccccc6n5)cc4)ccc32)cc1
InChIInChI=1S/C74H46N6/c1-3-17-52(18-4-1)77-65-27-13-8-21-55(65)60-43-48(33-39-69(60)77)49-35-41-71-62(45-49)57-23-10-15-29-67(57)79(71)54-37-31-47(32-38-54)73-75-64-26-12-7-25-59(64)74(76-73)80-68-30-16-11-24-58(68)63-46-51(36-42-72(63)80)50-34-40-70-61(44-50)56-22-9-14-28-66(56)78(70)53-19-5-2-6-20-53/h1-46H
InChIKeyNSQNUOBOURBYOU-UHFFFAOYSA-N
MW1019.22 g/mol
LogP19.02
Rot. Bonds7

About 3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole (PubChem CID 126632833) has the molecular formula C74H46N6 and a molecular weight of 1019.22 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
PubChem CID126632833
Molecular FormulaC74H46N6
Molecular Weight1019.22 g/mol
Exact Mass1018.38
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c6ccccc6n5)cc4)ccc32)cc1
InChIInChI=1S/C74H46N6/c1-3-17-52(18-4-1)77-65-27-13-8-21-55(65)60-43-48(33-39-69(60)77)49-35-41-71-62(45-49)57-23-10-15-29-67(57)79(71)54-37-31-47(32-38-54)73-75-64-26-12-7-25-59(64)74(76-73)80-68-30-16-11-24-58(68)63-46-51(36-42-72(63)80)50-34-40-70-61(44-50)56-22-9-14-28-66(56)78(70)53-19-5-2-6-20-53/h1-46H
InChIKeyNSQNUOBOURBYOU-UHFFFAOYSA-N
XLogP19.02
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.22
LogP ≤ 519.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole
CID 154514157
3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 160822067
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole (CID 126632833) is 3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c6ccccc6n5)cc4)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole?
The InChIKey is NSQNUOBOURBYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N6/c1-3-17-52(18-4-1)77-65-27-13-8-21-55(65)60-43-48(33-39-69(60)77)49-35-41-71-62(45-49)57-23-10-15-29-67(57)79(71)54-37-31-47(32-38-54)73-75-64-26-12-7-25-59(64)74(76-73)80-68-30-16-11-24-58(68)63-46-51(36-42-72(63)80)50-34-40-70-61(44-50)56-22-9-14-28-66(56)78(70)53-19-5-2-6-20-53/h1-46H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole has a molecular weight of 1019.22 g/mol, XLogP of 19.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole is sourced from PubChem (CID 126632833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).