N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C56H39N3 — CID 90270914

IUPACN-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6c(ccn6-c6ccccc6)c54)cc3)cc2)cc1
InChIInChI=1S/C56H39N3/c1-5-15-40(16-6-1)42-25-29-46(30-26-42)58(47-31-27-43(28-32-47)41-17-7-2-8-18-41)48-33-35-49(36-34-48)59-53-24-14-13-23-50(53)55-52(44-19-9-3-10-20-44)39-54-51(56(55)59)37-38-57(54)45-21-11-4-12-22-45/h1-39H
InChIKeyLVCPIILICDSXEZ-UHFFFAOYSA-N
MW753.95 g/mol
LogP15.20
Rot. Bonds8

About N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 90270914) has the molecular formula C56H39N3 and a molecular weight of 753.95 g/mol. Its IUPAC name is N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID90270914
Molecular FormulaC56H39N3
Molecular Weight753.95 g/mol
Exact Mass753.31
IUPAC NameN-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6c(ccn6-c6ccccc6)c54)cc3)cc2)cc1
InChIInChI=1S/C56H39N3/c1-5-15-40(16-6-1)42-25-29-46(30-26-42)58(47-31-27-43(28-32-47)41-17-7-2-8-18-41)48-33-35-49(36-34-48)59-53-24-14-13-23-50(53)55-52(44-19-9-3-10-20-44)39-54-51(56(55)59)37-38-57(54)45-21-11-4-12-22-45/h1-39H
InChIKeyLVCPIILICDSXEZ-UHFFFAOYSA-N
XLogP15.20
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
N-[4-(18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139505661
N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
CID 135225138
N-[4-[4-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467419
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660311
N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 118601869
N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline
CID 163422851
N-[4-(14,19-diphenyl-3,14,19-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,20]tricosa-1(13),2(10),4,6,8,11,15(23),16(20),17,21-decaen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90267330

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 90270914) is N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6c(ccn6-c6ccccc6)c54)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is LVCPIILICDSXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3/c1-5-15-40(16-6-1)42-25-29-46(30-26-42)58(47-31-27-43(28-32-47)41-17-7-2-8-18-41)48-33-35-49(36-34-48)59-53-24-14-13-23-50(53)55-52(44-19-9-3-10-20-44)39-54-51(56(55)59)37-38-57(54)45-21-11-4-12-22-45/h1-39H.
What are the key properties of N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 753.95 g/mol, XLogP of 15.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90270914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).