N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline

C58H38N4 — CID 144780424

IUPACN-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2Nc2ccc(-c3nc(-c4ccc5ccccc5c4)nc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C58H38N4/c1-3-14-39(15-4-1)51-36-43(44-29-34-55-52(37-44)49-21-11-12-22-54(49)62(55)47-18-5-2-6-19-47)28-33-53(51)59-46-30-25-41(26-31-46)56-50-32-27-40-16-9-10-20-48(40)57(50)61-58(60-56)45-24-23-38-13-7-8-17-42(38)35-45/h1-37,59H
InChIKeyBGYOQPZWNXMZMM-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.44
Rot. Bonds7

About N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline

N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 144780424) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID144780424
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC NameN-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2Nc2ccc(-c3nc(-c4ccc5ccccc5c4)nc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C58H38N4/c1-3-14-39(15-4-1)51-36-43(44-29-34-55-52(37-44)49-21-11-12-22-54(49)62(55)47-18-5-2-6-19-47)28-33-53(51)59-46-30-25-41(26-31-46)56-50-32-27-40-16-9-10-20-48(40)57(50)61-58(60-56)45-24-23-38-13-7-8-17-42(38)35-45/h1-37,59H
InChIKeyBGYOQPZWNXMZMM-UHFFFAOYSA-N
XLogP15.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline
CID 122497126
4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-phenylbenzo[h]quinazoline
CID 121401961
2-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 121401965
2-(4-bromophenyl)-4-phenylbenzo[h]quinazoline;4-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 159017724
2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402028
2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402041
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 130355727
2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 122497106
4-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline
CID 121401969
4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 157055848
2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 158992655
4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]-2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzo[h]quinazoline
CID 121401991

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline (CID 144780424) is N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline is c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2Nc2ccc(-c3nc(-c4ccc5ccccc5c4)nc4c3ccc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is BGYOQPZWNXMZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-3-14-39(15-4-1)51-36-43(44-29-34-55-52(37-44)49-21-11-12-22-54(49)62(55)47-18-5-2-6-19-47)28-33-53(51)59-46-30-25-41(26-31-46)56-50-32-27-40-16-9-10-20-48(40)57(50)61-58(60-56)45-24-23-38-13-7-8-17-42(38)35-45/h1-37,59H.
What are the key properties of N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 790.97 g/mol, XLogP of 15.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 144780424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).