11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole

C52H33N3 — CID 144568635

IUPAC11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)ccc32)cc1
InChIInChI=1S/C52H33N3/c1-2-14-36(15-3-1)53-46-21-9-7-18-42(46)45-33-35(26-32-49(45)53)39-20-12-24-50-51(39)44-19-8-11-23-48(44)54(50)37-27-29-38(30-28-37)55-47-22-10-6-17-41(47)43-31-25-34-13-4-5-16-40(34)52(43)55/h1-33H
InChIKeyFLWHOIJEDYJYOG-UHFFFAOYSA-N
MW699.86 g/mol
LogP13.80
Rot. Bonds4

About 11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole

11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole (PubChem CID 144568635) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
PubChem CID144568635
Molecular FormulaC52H33N3
Molecular Weight699.86 g/mol
Exact Mass699.27
IUPAC Name11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)ccc32)cc1
InChIInChI=1S/C52H33N3/c1-2-14-36(15-3-1)53-46-21-9-7-18-42(46)45-33-35(26-32-49(45)53)39-20-12-24-50-51(39)44-19-8-11-23-48(44)54(50)37-27-29-38(30-28-37)55-47-22-10-6-17-41(47)43-31-25-34-13-4-5-16-40(34)52(43)55/h1-33H
InChIKeyFLWHOIJEDYJYOG-UHFFFAOYSA-N
XLogP13.80
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.022,27.031,35.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21(30),22,24,26,28,31(35),32-heptadecaene
CID 169057065
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304278
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
8-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;9-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 161262150

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole?
The IUPAC name of 11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole (CID 144568635) is 11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole.
What is the SMILES notation for 11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole?
The canonical SMILES for 11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)ccc32)cc1.
What is the InChIKey of 11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole?
The InChIKey is FLWHOIJEDYJYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-2-14-36(15-3-1)53-46-21-9-7-18-42(46)45-33-35(26-32-49(45)53)39-20-12-24-50-51(39)44-19-8-11-23-48(44)54(50)37-27-29-38(30-28-37)55-47-22-10-6-17-41(47)43-31-25-34-13-4-5-16-40(34)52(43)55/h1-33H.
What are the key properties of 11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole?
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole has a molecular weight of 699.86 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole is sourced from PubChem (CID 144568635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).