1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole

C48H30N4 — CID 155114247

IUPAC1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc6ccccc6cc5c5c(-n6c7ccccc7c7ccccc76)cccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C48H30N4/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)47-38-19-6-9-20-40(38)49-48(50-47)52-44-24-12-23-43(46(44)39-29-34-15-4-5-16-35(34)30-45(39)52)51-41-21-10-7-17-36(41)37-18-8-11-22-42(37)51/h1-30H
InChIKeyFCDPWAXFUMVXLF-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.31
Rot. Bonds4

About 1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole

1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 155114247) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID155114247
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc6ccccc6cc5c5c(-n6c7ccccc7c7ccccc76)cccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C48H30N4/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)47-38-19-6-9-20-40(38)49-48(50-47)52-44-24-12-23-43(46(44)39-29-34-15-4-5-16-35(34)30-45(39)52)51-41-21-10-7-17-36(41)37-18-8-11-22-42(37)51/h1-30H
InChIKeyFCDPWAXFUMVXLF-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene
CID 170127189
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
1-benzo[b]carbazol-5-yl-5-[5-[3-(3,5-diphenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole;1-benzo[b]carbazol-5-yl-5-[5-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 158497164
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114249
5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 139361845
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
9-(3,5-diphenylphenyl)-14-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-1-yl-14-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158110325
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
1-carbazol-9-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 159738156
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole (CID 155114247) is 1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5cc6ccccc6cc5c5c(-n6c7ccccc7c7ccccc76)cccc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is FCDPWAXFUMVXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)47-38-19-6-9-20-40(38)49-48(50-47)52-44-24-12-23-43(46(44)39-29-34-15-4-5-16-35(34)30-45(39)52)51-41-21-10-7-17-36(41)37-18-8-11-22-42(37)51/h1-30H.
What are the key properties of 1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155114247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).