4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline

C68H45N3 — CID 90126271

IUPAC4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cc(-c6cccc7ccccc67)ccc5n(-c5ccccc5)c4c4c3c3cc(-c5cccc6ccccc56)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C68H45N3/c1-5-23-51(24-6-1)69(52-25-7-2-8-26-52)55-39-35-48(36-40-55)60-45-62-61-43-49(58-33-17-21-46-19-13-15-31-56(46)58)37-41-64(61)70(53-27-9-3-10-28-53)67(62)68-66(60)63-44-50(59-34-18-22-47-20-14-16-32-57(47)59)38-42-65(63)71(68)54-29-11-4-12-30-54/h1-45H
InChIKeyQDGXBNUTYWNFJN-UHFFFAOYSA-N
MW904.13 g/mol
LogP18.66
Rot. Bonds8

About 4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline

4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline (PubChem CID 90126271) has the molecular formula C68H45N3 and a molecular weight of 904.13 g/mol. Its IUPAC name is 4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline
PubChem CID90126271
Molecular FormulaC68H45N3
Molecular Weight904.13 g/mol
Exact Mass903.36
IUPAC Name4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cc(-c6cccc7ccccc67)ccc5n(-c5ccccc5)c4c4c3c3cc(-c5cccc6ccccc56)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C68H45N3/c1-5-23-51(24-6-1)69(52-25-7-2-8-26-52)55-39-35-48(36-40-55)60-45-62-61-43-49(58-33-17-21-46-19-13-15-31-56(46)58)37-41-64(61)70(53-27-9-3-10-28-53)67(62)68-66(60)63-44-50(59-34-18-22-47-20-14-16-32-57(47)59)38-42-65(63)71(68)54-29-11-4-12-30-54/h1-45H
InChIKeyQDGXBNUTYWNFJN-UHFFFAOYSA-N
XLogP18.66
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.13
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline
CID 90126284
6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59010589
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660632
N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 167195087
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659999
4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline
CID 172504626
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282036
3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine
CID 134275326
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165036325

Frequently Asked Questions

What is the IUPAC name of 4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline (CID 90126271) is 4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cc(-c6cccc7ccccc67)ccc5n(-c5ccccc5)c4c4c3c3cc(-c5cccc6ccccc56)ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline?
The InChIKey is QDGXBNUTYWNFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N3/c1-5-23-51(24-6-1)69(52-25-7-2-8-26-52)55-39-35-48(36-40-55)60-45-62-61-43-49(58-33-17-21-46-19-13-15-31-56(46)58)37-41-64(61)70(53-27-9-3-10-28-53)67(62)68-66(60)63-44-50(59-34-18-22-47-20-14-16-32-57(47)59)38-42-65(63)71(68)54-29-11-4-12-30-54/h1-45H.
What are the key properties of 4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline?
4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline has a molecular weight of 904.13 g/mol, XLogP of 18.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline is sourced from PubChem (CID 90126271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).