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

C116H85N9 — CID 160601602

IUPACN,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
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C40H31N3.2C38H27N3/c1-28-12-16-32(17-13-28)42(33-18-14-29(2)15-19-33)34-22-20-30(21-23-34)41-27-26-37-38(41)25-24-36-35-10-6-7-11-39(35)43(40(36)37)31-8-4-3-5-9-31;1-4-13-28(14-5-1)40(29-15-6-2-7-16-29)32-20-12-19-31(27-32)39-26-25-35-36(39)24-23-34-33-21-10-11-22-37(33)41(38(34)35)30-17-8-3-9-18-30;1-4-12-29(13-5-1)40(30-14-6-2-7-15-30)32-22-20-28(21-23-32)39-27-26-35-36(39)25-24-34-33-18-10-11-19-37(33)41(38(34)35)31-16-8-3-9-17-31/h3-27H,1-2H3;2*1-27H
InChIKeyREIQMSIRVAOVNO-UHFFFAOYSA-N
MW1605.02 g/mol
LogP31.21
Rot. Bonds15

About 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

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 (PubChem CID 160601602) has the molecular formula C116H85N9 and a molecular weight of 1605.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID160601602
Molecular FormulaC116H85N9
Molecular Weight1605.02 g/mol
Exact Mass1603.69
IUPAC NameN,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
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C40H31N3.2C38H27N3/c1-28-12-16-32(17-13-28)42(33-18-14-29(2)15-19-33)34-22-20-30(21-23-34)41-27-26-37-38(41)25-24-36-35-10-6-7-11-39(35)43(40(36)37)31-8-4-3-5-9-31;1-4-13-28(14-5-1)40(29-15-6-2-7-16-29)32-20-12-19-31(27-32)39-26-25-35-36(39)24-23-34-33-21-10-11-22-37(33)41(38(34)35)30-17-8-3-9-18-30;1-4-12-29(13-5-1)40(30-14-6-2-7-15-30)32-22-20-28(21-23-32)39-27-26-35-36(39)25-24-34-33-18-10-11-19-37(33)41(38(34)35)31-16-8-3-9-17-31/h3-27H,1-2H3;2*1-27H
InChIKeyREIQMSIRVAOVNO-UHFFFAOYSA-N
XLogP31.21
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001605.02
LogP ≤ 531.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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
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
9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
CID 118315327
N-[4-(10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaen-14-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267399
N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315166
N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
CID 118316091
9-(4-methylphenyl)-N-phenyl-N-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine
CID 118316037
9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315164
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
CID 160567331
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
N-[3-[3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 118315524

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 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?
The InChIKey is REIQMSIRVAOVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3.2C38H27N3/c1-28-12-16-32(17-13-28)42(33-18-14-29(2)15-19-33)34-22-20-30(21-23-34)41-27-26-37-38(41)25-24-36-35-10-6-7-11-39(35)43(40(36)37)31-8-4-3-5-9-31;1-4-13-28(14-5-1)40(29-15-6-2-7-16-29)32-20-12-19-31(27-32)39-26-25-35-36(39)24-23-34-33-21-10-11-22-37(33)41(38(34)35)30-17-8-3-9-18-30;1-4-12-29(13-5-1)40(30-14-6-2-7-15-30)32-22-20-28(21-23-32)39-27-26-35-36(39)25-24-34-33-18-10-11-19-37(33)41(38(34)35)31-16-8-3-9-17-31/h3-27H,1-2H3;2*1-27H.
What are the key properties of 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?
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 has a molecular weight of 1605.02 g/mol, XLogP of 31.21, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160601602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).