9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine

C65H42N4 — CID 139384315

IUPAC9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine
SMILESc1ccc(-c2nc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)nc3ccccc23)cc1
InChIInChI=1S/C65H42N4/c1-3-19-45(20-4-1)63-55-27-12-15-29-59(55)66-64(67-63)68(51-38-40-61-56(42-51)53-25-13-16-30-60(53)69(61)50-35-31-43-17-7-8-21-46(43)41-50)49-36-33-48(34-37-49)65(47-22-5-2-6-23-47)57-28-14-11-26-54(57)62-52-24-10-9-18-44(52)32-39-58(62)65/h1-42H
InChIKeyIRTZXIBMZRZUEJ-UHFFFAOYSA-N
MW879.08 g/mol
LogP16.53
Rot. Bonds7

About 9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine

9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine (PubChem CID 139384315) has the molecular formula C65H42N4 and a molecular weight of 879.08 g/mol. Its IUPAC name is 9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine
PubChem CID139384315
Molecular FormulaC65H42N4
Molecular Weight879.08 g/mol
Exact Mass878.34
IUPAC Name9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine
SMILESc1ccc(-c2nc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)nc3ccccc23)cc1
InChIInChI=1S/C65H42N4/c1-3-19-45(20-4-1)63-55-27-12-15-29-59(55)66-64(67-63)68(51-38-40-61-56(42-51)53-25-13-16-30-60(53)69(61)50-35-31-43-17-7-8-21-46(43)41-50)49-36-33-48(34-37-49)65(47-22-5-2-6-23-47)57-28-14-11-26-54(57)62-52-24-10-9-18-44(52)32-39-58(62)65/h1-42H
InChIKeyIRTZXIBMZRZUEJ-UHFFFAOYSA-N
XLogP16.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-naphthalen-2-yl-N-[2-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine
CID 139404287
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 71175459
N-(7,7-diphenylbenzo[c]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 146364307
N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 135299725
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167334048
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-4-yl)-7,7-diphenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 161188931
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264419
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 161161453
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine?
The IUPAC name of 9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine (CID 139384315) is 9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine.
What is the SMILES notation for 9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine?
The canonical SMILES for 9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine is c1ccc(-c2nc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)nc3ccccc23)cc1.
What is the InChIKey of 9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine?
The InChIKey is IRTZXIBMZRZUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N4/c1-3-19-45(20-4-1)63-55-27-12-15-29-59(55)66-64(67-63)68(51-38-40-61-56(42-51)53-25-13-16-30-60(53)69(61)50-35-31-43-17-7-8-21-46(43)41-50)49-36-33-48(34-37-49)65(47-22-5-2-6-23-47)57-28-14-11-26-54(57)62-52-24-10-9-18-44(52)32-39-58(62)65/h1-42H.
What are the key properties of 9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine?
9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine has a molecular weight of 879.08 g/mol, XLogP of 16.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine is sourced from PubChem (CID 139384315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).