2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole

C48H31N3 — CID 146540295

IUPAC2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C48H31N3/c1-3-11-32(12-4-1)34-19-21-35(22-20-34)36-23-25-37(26-24-36)47-49-44-18-10-9-17-41(44)48(50-47)51-45-28-27-40(33-13-5-2-6-14-33)30-42(45)43-29-38-15-7-8-16-39(38)31-46(43)51/h1-31H
InChIKeyIAFNKEREIXMLLF-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.55
Rot. Bonds5

About 2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole

2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole (PubChem CID 146540295) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
PubChem CID146540295
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C48H31N3/c1-3-11-32(12-4-1)34-19-21-35(22-20-34)36-23-25-37(26-24-36)47-49-44-18-10-9-17-41(44)48(50-47)51-45-28-27-40(33-13-5-2-6-14-33)30-42(45)43-29-38-15-7-8-16-39(38)31-46(43)51/h1-31H
InChIKeyIAFNKEREIXMLLF-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
CID 139361389
2-chloro-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375790
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
2-indol-1-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
CID 146375728
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
5-[2-(9-naphthalen-2-ylcarbazol-3-yl)-7-phenylquinazolin-4-yl]-3-phenyl-9-[4-[3-[7-phenyl-4-(3-phenylbenzo[b]carbazol-5-yl)quinazolin-2-yl]carbazol-9-yl]phenyl]benzo[b]carbazole
CID 146539883
2-benzo[a]carbazol-11-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
CID 157060055
3-[2-(4-phenylphenyl)quinazolin-4-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene
CID 130258424
4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene
CID 130258354
N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine
CID 118506892
4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene;4,19-diphenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene
CID 159502057

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole?
The IUPAC name of 2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole (CID 146540295) is 2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole?
The canonical SMILES for 2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3ccc(-c4nc(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)c5ccccc5n4)cc3)cc2)cc1.
What is the InChIKey of 2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole?
The InChIKey is IAFNKEREIXMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-3-11-32(12-4-1)34-19-21-35(22-20-34)36-23-25-37(26-24-36)47-49-44-18-10-9-17-41(44)48(50-47)51-45-28-27-40(33-13-5-2-6-14-33)30-42(45)43-29-38-15-7-8-16-39(38)31-46(43)51/h1-31H.
What are the key properties of 2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole?
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 146540295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).