N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine

C130H101N9 — CID 162156424

IUPACN,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C46H43N3.2C42H29N3/c1-45(2,3)32-19-23-35(24-20-32)48(36-25-21-33(22-26-36)46(4,5)6)37-15-12-16-38(31-37)49-42-18-11-10-17-39(42)44-40-29-30-47(34-13-8-7-9-14-34)41(40)27-28-43(44)49;1-3-14-32(15-4-1)43-27-26-38-39(43)24-25-41-42(38)37-20-9-10-21-40(37)45(41)35-19-11-18-34(29-35)44(33-16-5-2-6-17-33)36-23-22-30-12-7-8-13-31(30)28-36;1-3-13-32(14-4-1)43-28-27-38-39(43)25-26-41-42(38)37-17-9-10-18-40(37)45(41)35-23-21-34(22-24-35)44(33-15-5-2-6-16-33)36-20-19-30-11-7-8-12-31(30)29-36/h7-31H,1-6H3;2*1-29H
InChIKeyZLWRLIALVLESAN-UHFFFAOYSA-N
MW1789.30 g/mol
LogP35.49
Rot. Bonds15

About N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine

N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine (PubChem CID 162156424) has the molecular formula C130H101N9 and a molecular weight of 1789.30 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
PubChem CID162156424
Molecular FormulaC130H101N9
Molecular Weight1789.30 g/mol
Exact Mass1787.82
IUPAC NameN,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C46H43N3.2C42H29N3/c1-45(2,3)32-19-23-35(24-20-32)48(36-25-21-33(22-26-36)46(4,5)6)37-15-12-16-38(31-37)49-42-18-11-10-17-39(42)44-40-29-30-47(34-13-8-7-9-14-34)41(40)27-28-43(44)49;1-3-14-32(15-4-1)43-27-26-38-39(43)24-25-41-42(38)37-20-9-10-21-40(37)45(41)35-19-11-18-34(29-35)44(33-16-5-2-6-17-33)36-23-22-30-12-7-8-13-31(30)28-36;1-3-13-32(14-4-1)43-28-27-38-39(43)25-26-41-42(38)37-17-9-10-18-40(37)45(41)35-23-21-34(22-24-35)44(33-15-5-2-6-16-33)36-20-19-30-11-7-8-12-31(30)29-36/h7-31H,1-6H3;2*1-29H
InChIKeyZLWRLIALVLESAN-UHFFFAOYSA-N
XLogP35.49
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001789.30
LogP ≤ 535.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine with MolForge

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Related Compounds

N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
CID 118315283
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
N,9-bis(4-tert-butylphenyl)-N-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]carbazol-3-amine
CID 118315251
9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
CID 118315327
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
CID 118315266
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N,N-diphenyl-4-(7-phenyl-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaen-14-yl)aniline
CID 90223257
9-(3-tert-butylphenyl)-3-[9-(3-tert-butylphenyl)carbazol-3-yl]carbazole;9-(4-tert-butylphenyl)-3-[9-(4-tert-butylphenyl)carbazol-3-yl]carbazole;N,N-diphenyl-3-[3-[9-[3-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline
CID 161395896
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
6-tert-butyl-N-(9-naphthalen-2-ylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;6-tert-butyl-N-naphthalen-1-yl-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-N-naphthalen-2-yl-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-9-naphthalen-1-yl-N-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-9-naphthalen-2-yl-N-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-N-phenyl-N-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazol-3-amine
CID 159911430
3-(3,6-ditert-butylcarbazol-9-yl)-N,N-diphenylaniline
CID 175173187

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine (CID 162156424) is N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine?
The InChIKey is ZLWRLIALVLESAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N3.2C42H29N3/c1-45(2,3)32-19-23-35(24-20-32)48(36-25-21-33(22-26-36)46(4,5)6)37-15-12-16-38(31-37)49-42-18-11-10-17-39(42)44-40-29-30-47(34-13-8-7-9-14-34)41(40)27-28-43(44)49;1-3-14-32(15-4-1)43-27-26-38-39(43)24-25-41-42(38)37-20-9-10-21-40(37)45(41)35-19-11-18-34(29-35)44(33-16-5-2-6-17-33)36-23-22-30-12-7-8-13-31(30)28-36;1-3-13-32(14-4-1)43-28-27-38-39(43)25-26-41-42(38)37-17-9-10-18-40(37)45(41)35-23-21-34(22-24-35)44(33-15-5-2-6-16-33)36-20-19-30-11-7-8-12-31(30)29-36/h7-31H,1-6H3;2*1-29H.
What are the key properties of N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine?
N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine has a molecular weight of 1789.30 g/mol, XLogP of 35.49, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 162156424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).