N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline

C58H39N3 — CID 145273364

IUPACN-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccc8ccccc8c7)c65)c4)cc3)cc2)cc1
InChIInChI=1S/C58H39N3/c1-3-14-40(15-4-1)42-26-31-47(32-27-42)59(46-19-5-2-6-20-46)48-33-28-43(29-34-48)45-18-13-21-49(38-45)61-54-24-11-9-22-51(54)52-36-37-56-57(58(52)61)53-23-10-12-25-55(53)60(56)50-35-30-41-16-7-8-17-44(41)39-50/h1-39H
InChIKeyKGJMSSUXOSKBQW-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.84
Rot. Bonds7

About N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline

N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline (PubChem CID 145273364) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline
PubChem CID145273364
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC NameN-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccc8ccccc8c7)c65)c4)cc3)cc2)cc1
InChIInChI=1S/C58H39N3/c1-3-14-40(15-4-1)42-26-31-47(32-27-42)59(46-19-5-2-6-20-46)48-33-28-43(29-34-48)45-18-13-21-49(38-45)61-54-24-11-9-22-51(54)52-36-37-56-57(58(52)61)53-23-10-12-25-55(53)60(56)50-35-30-41-16-7-8-17-44(41)39-50/h1-39H
InChIKeyKGJMSSUXOSKBQW-UHFFFAOYSA-N
XLogP15.84
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145273395
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 145273382
4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline
CID 163777791
5-naphthalen-2-yl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 142481966
N-phenyl-N-(3-phenylphenyl)-7-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273386
N-phenyl-N-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273366
5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 134168814
benzene;N-naphthalen-2-yl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]naphthalen-2-amine
CID 145273265
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N,N-diphenylnaphthalen-2-amine
CID 145273348
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
9-naphthalen-2-yl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159589030

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline (CID 145273364) is N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccc8ccccc8c7)c65)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline?
The InChIKey is KGJMSSUXOSKBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-3-14-40(15-4-1)42-26-31-47(32-27-42)59(46-19-5-2-6-20-46)48-33-28-43(29-34-48)45-18-13-21-49(38-45)61-54-24-11-9-22-51(54)52-36-37-56-57(58(52)61)53-23-10-12-25-55(53)60(56)50-35-30-41-16-7-8-17-44(41)39-50/h1-39H.
What are the key properties of N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline?
N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline has a molecular weight of 777.97 g/mol, XLogP of 15.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 145273364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).