5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole

C58H37N3 — CID 146539853

IUPAC5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4nc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc8ccccc8cc76)cc5)nc(-c5ccc6ccccc6c5)c4c3)cc2)cc1
InChIInChI=1S/C58H37N3/c1-3-11-38(12-4-1)41-19-21-42(22-20-41)47-27-31-54-53(36-47)57(49-24-23-40-15-7-8-16-44(40)33-49)60-58(59-54)43-25-29-50(30-26-43)61-55-32-28-48(39-13-5-2-6-14-39)35-51(55)52-34-45-17-9-10-18-46(45)37-56(52)61/h1-37H
InChIKeyXIJPNRBBHWIICX-UHFFFAOYSA-N
MW775.96 g/mol
LogP15.37
Rot. Bonds6

About 5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole

5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole (PubChem CID 146539853) has the molecular formula C58H37N3 and a molecular weight of 775.96 g/mol. Its IUPAC name is 5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
PubChem CID146539853
Molecular FormulaC58H37N3
Molecular Weight775.96 g/mol
Exact Mass775.30
IUPAC Name5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4nc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc8ccccc8cc76)cc5)nc(-c5ccc6ccccc6c5)c4c3)cc2)cc1
InChIInChI=1S/C58H37N3/c1-3-11-38(12-4-1)41-19-21-42(22-20-41)47-27-31-54-53(36-47)57(49-24-23-40-15-7-8-16-44(40)33-49)60-58(59-54)43-25-29-50(30-26-43)61-55-32-28-48(39-13-5-2-6-14-39)35-51(55)52-34-45-17-9-10-18-46(45)37-56(52)61/h1-37H
InChIKeyXIJPNRBBHWIICX-UHFFFAOYSA-N
XLogP15.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.96
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
CID 167032394
12-[4-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361461
5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 139362121
4-[2-[4-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-4-phenylquinazolin-6-yl]benzonitrile;12-[4-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 161489719
12-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917528
9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630568
9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 160941783
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 139315614
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole?
The IUPAC name of 5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole (CID 146539853) is 5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole?
The canonical SMILES for 5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole is c1ccc(-c2ccc(-c3ccc4nc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc8ccccc8cc76)cc5)nc(-c5ccc6ccccc6c5)c4c3)cc2)cc1.
What is the InChIKey of 5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole?
The InChIKey is XIJPNRBBHWIICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3/c1-3-11-38(12-4-1)41-19-21-42(22-20-41)47-27-31-54-53(36-47)57(49-24-23-40-15-7-8-16-44(40)33-49)60-58(59-54)43-25-29-50(30-26-43)61-55-32-28-48(39-13-5-2-6-14-39)35-51(55)52-34-45-17-9-10-18-46(45)37-56(52)61/h1-37H.
What are the key properties of 5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole?
5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole has a molecular weight of 775.96 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole is sourced from PubChem (CID 146539853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).