7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole

C60H38N4 — CID 155114239

IUPAC7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4cccc(-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)c4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C60H38N4/c1-3-16-39(17-4-1)41-32-34-43(35-33-41)58-60(62-52-28-11-10-27-51(52)61-58)64-55-31-15-26-48(57(55)50-37-36-42-20-7-8-23-46(42)59(50)64)47-25-14-30-54-56(47)49-24-9-12-29-53(49)63(54)45-22-13-21-44(38-45)40-18-5-2-6-19-40/h1-38H
InChIKeyDWDDBHUOVRRNRX-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.65
Rot. Bonds6

About 7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole

7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole (PubChem CID 155114239) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole.

Molecular Properties

Compound Name7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole
PubChem CID155114239
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4cccc(-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)c4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C60H38N4/c1-3-16-39(17-4-1)41-32-34-43(35-33-41)58-60(62-52-28-11-10-27-51(52)61-58)64-55-31-15-26-48(57(55)50-37-36-42-20-7-8-23-46(42)59(50)64)47-25-14-30-54-56(47)49-24-9-12-29-53(49)63(54)45-22-13-21-44(38-45)40-18-5-2-6-19-40/h1-38H
InChIKeyDWDDBHUOVRRNRX-UHFFFAOYSA-N
XLogP15.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole
CID 155114316
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
14-(4-phenylphenyl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165955
7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole
CID 166849308
6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 158944758
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178
10-phenyl-30-(3-phenylquinoxalin-2-yl)-10,30-diazaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155429520
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene
CID 159144068
20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene
CID 159486049

Frequently Asked Questions

What is the IUPAC name of 7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole?
The IUPAC name of 7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole (CID 155114239) is 7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole.
What is the SMILES notation for 7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole?
The canonical SMILES for 7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole is c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4cccc(-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)c4c4ccc5ccccc5c43)cc2)cc1.
What is the InChIKey of 7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole?
The InChIKey is DWDDBHUOVRRNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-3-16-39(17-4-1)41-32-34-43(35-33-41)58-60(62-52-28-11-10-27-51(52)61-58)64-55-31-15-26-48(57(55)50-37-36-42-20-7-8-23-46(42)59(50)64)47-25-14-30-54-56(47)49-24-9-12-29-53(49)63(54)45-22-13-21-44(38-45)40-18-5-2-6-19-40/h1-38H.
What are the key properties of 7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole?
7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole has a molecular weight of 814.99 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole is sourced from PubChem (CID 155114239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).