11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole

C60H38N4 — CID 145158965

IUPAC11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)cc3)nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1
InChIInChI=1S/C60H38N4/c1-4-15-41(16-5-1)58-53-38-44(45-31-34-56-51(37-45)49-22-12-13-23-55(49)63(56)46-17-6-2-7-18-46)29-33-54(53)61-60(62-58)42-26-24-39(25-27-42)43-30-35-57-52(36-43)50-32-28-40-14-10-11-21-48(40)59(50)64(57)47-19-8-3-9-20-47/h1-38H
InChIKeyWWSCARRSURSAMK-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.65
Rot. Bonds6

About 11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole

11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole (PubChem CID 145158965) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole.

Molecular Properties

Compound Name11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
PubChem CID145158965
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)cc3)nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1
InChIInChI=1S/C60H38N4/c1-4-15-41(16-5-1)58-53-38-44(45-31-34-56-51(37-45)49-22-12-13-23-55(49)63(56)46-17-6-2-7-18-46)29-33-54(53)61-60(62-58)42-26-24-39(25-27-42)43-30-35-57-52(36-43)50-32-28-40-14-10-11-21-48(40)59(50)64(57)47-19-8-3-9-20-47/h1-38H
InChIKeyWWSCARRSURSAMK-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-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
CID 145158985
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
28-phenyl-23-[22-phenyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-6-yl]-14-[4-(4-phenylquinazolin-2-yl)phenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaene
CID 138533201
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
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
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole
CID 154952578
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole?
The IUPAC name of 11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole (CID 145158965) is 11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole.
What is the SMILES notation for 11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole?
The canonical SMILES for 11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)cc3)nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1.
What is the InChIKey of 11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole?
The InChIKey is WWSCARRSURSAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-4-15-41(16-5-1)58-53-38-44(45-31-34-56-51(37-45)49-22-12-13-23-55(49)63(56)46-17-6-2-7-18-46)29-33-54(53)61-60(62-58)42-26-24-39(25-27-42)43-30-35-57-52(36-43)50-32-28-40-14-10-11-21-48(40)59(50)64(57)47-19-8-3-9-20-47/h1-38H.
What are the key properties of 11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole?
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]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 11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole is sourced from PubChem (CID 145158965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).