3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline

C72H56Cl2N4 — CID 146665929

IUPAC3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3[nH]c3c(-c5ccccc5)c5c([nH]c6c(-c7ccc(N(c8ccccc8)c8ccc(C(C)C)cc8)cc7Cl)cccc65)c(-c5ccccc5)c34)c(Cl)c2)cc1
InChIInChI=1S/C72H56Cl2N4/c1-45(2)47-31-35-53(36-32-47)77(51-23-13-7-14-24-51)55-39-41-57(63(73)43-55)59-27-17-29-61-67-65(49-19-9-5-10-20-49)72-68(66(71(67)75-69(59)61)50-21-11-6-12-22-50)62-30-18-28-60(70(62)76-72)58-42-40-56(44-64(58)74)78(52-25-15-8-16-26-52)54-37-33-48(34-38-54)46(3)4/h5-46,75-76H,1-4H3
InChIKeyQSGKZOWCTYPBJV-UHFFFAOYSA-N
MW1048.17 g/mol
LogP22.12
Rot. Bonds12

About 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline

3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline (PubChem CID 146665929) has the molecular formula C72H56Cl2N4 and a molecular weight of 1048.17 g/mol. Its IUPAC name is 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
PubChem CID146665929
Molecular FormulaC72H56Cl2N4
Molecular Weight1048.17 g/mol
Exact Mass1046.39
IUPAC Name3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3[nH]c3c(-c5ccccc5)c5c([nH]c6c(-c7ccc(N(c8ccccc8)c8ccc(C(C)C)cc8)cc7Cl)cccc65)c(-c5ccccc5)c34)c(Cl)c2)cc1
InChIInChI=1S/C72H56Cl2N4/c1-45(2)47-31-35-53(36-32-47)77(51-23-13-7-14-24-51)55-39-41-57(63(73)43-55)59-27-17-29-61-67-65(49-19-9-5-10-20-49)72-68(66(71(67)75-69(59)61)50-21-11-6-12-22-50)62-30-18-28-60(70(62)76-72)58-42-40-56(44-64(58)74)78(52-25-15-8-16-26-52)54-37-33-48(34-38-54)46(3)4/h5-46,75-76H,1-4H3
InChIKeyQSGKZOWCTYPBJV-UHFFFAOYSA-N
XLogP22.12
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001048.17
LogP ≤ 522.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline with MolForge

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Related Compounds

4,10-bis(3-chloronaphthalen-2-yl)-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazole
CID 146263324
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
CID 157170730
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 159721298
2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine
CID 143986181
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
N,16,17-triphenyl-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032096
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
CID 166084525
8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 165019608
4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline
CID 173271590
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
16-phenyl-N-(3-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032756

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The IUPAC name of 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline (CID 146665929) is 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline is CC(C)c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3[nH]c3c(-c5ccccc5)c5c([nH]c6c(-c7ccc(N(c8ccccc8)c8ccc(C(C)C)cc8)cc7Cl)cccc65)c(-c5ccccc5)c34)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The InChIKey is QSGKZOWCTYPBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56Cl2N4/c1-45(2)47-31-35-53(36-32-47)77(51-23-13-7-14-24-51)55-39-41-57(63(73)43-55)59-27-17-29-61-67-65(49-19-9-5-10-20-49)72-68(66(71(67)75-69(59)61)50-21-11-6-12-22-50)62-30-18-28-60(70(62)76-72)58-42-40-56(44-64(58)74)78(52-25-15-8-16-26-52)54-37-33-48(34-38-54)46(3)4/h5-46,75-76H,1-4H3.
What are the key properties of 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline has a molecular weight of 1048.17 g/mol, XLogP of 22.12, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-[2-chloro-4-(N-(4-propan-2-ylphenyl)anilino)phenyl]-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazol-10-yl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 146665929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).