N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine

C54H37N3 — CID 118315524

IUPACN-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)c34)c2)cc1
InChIInChI=1S/C54H37N3/c1-4-15-38(16-5-1)42-33-43(39-17-6-2-7-18-39)36-48(35-42)55-32-31-51-52(55)30-29-50-49-25-12-13-26-53(49)57(54(50)51)46-24-14-23-45(37-46)56(44-21-8-3-9-22-44)47-28-27-40-19-10-11-20-41(40)34-47/h1-37H
InChIKeyXFKAXQCPNKDZDI-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.68
Rot. Bonds7

About N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine

N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 118315524) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID118315524
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC NameN-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)c34)c2)cc1
InChIInChI=1S/C54H37N3/c1-4-15-38(16-5-1)42-33-43(39-17-6-2-7-18-39)36-48(35-42)55-32-31-51-52(55)30-29-50-49-25-12-13-26-53(49)57(54(50)51)46-24-14-23-45(37-46)56(44-21-8-3-9-22-44)47-28-27-40-19-10-11-20-41(40)34-47/h1-37H
InChIKeyXFKAXQCPNKDZDI-UHFFFAOYSA-N
XLogP14.68
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118315497
3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90130566
N,N-diphenyl-3-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;N,N-diphenyl-4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)phenyl]aniline
CID 160601602
N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 145273364
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 166566072
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenylaniline
CID 166566208
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578515
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566213
N-[4-(10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 118315524) is N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)c34)c2)cc1.
What is the InChIKey of N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is XFKAXQCPNKDZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-4-15-38(16-5-1)42-33-43(39-17-6-2-7-18-39)36-48(35-42)55-32-31-51-52(55)30-29-50-49-25-12-13-26-53(49)57(54(50)51)46-24-14-23-45(37-46)56(44-21-8-3-9-22-44)47-28-27-40-19-10-11-20-41(40)34-47/h1-37H.
What are the key properties of N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 727.91 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 118315524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).