N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline

C38H27N3 — CID 142731130

IUPACN,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c4c(c5ccccc5n4-c4ccccc4)n4ccccc34)cc2)cc1
InChIInChI=1S/C38H27N3/c1-4-14-29(15-5-1)40(30-16-6-2-7-17-30)32-25-23-28(24-26-32)36-35-22-12-13-27-39(35)37-33-20-10-11-21-34(33)41(38(36)37)31-18-8-3-9-19-31/h1-27H
InChIKeySMWDCZFKHHGCKR-UHFFFAOYSA-N
MW525.66 g/mol
LogP10.17
Rot. Bonds5

About N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline

N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline (PubChem CID 142731130) has the molecular formula C38H27N3 and a molecular weight of 525.66 g/mol. Its IUPAC name is N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline
PubChem CID142731130
Molecular FormulaC38H27N3
Molecular Weight525.66 g/mol
Exact Mass525.22
IUPAC NameN,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c4c(c5ccccc5n4-c4ccccc4)n4ccccc34)cc2)cc1
InChIInChI=1S/C38H27N3/c1-4-14-29(15-5-1)40(30-16-6-2-7-17-30)32-25-23-28(24-26-32)36-35-22-12-13-27-39(35)37-33-20-10-11-21-34(33)41(38(36)37)31-18-8-3-9-19-31/h1-27H
InChIKeySMWDCZFKHHGCKR-UHFFFAOYSA-N
XLogP10.17
TPSA12.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-10-(3-phenylphenyl)-7-[11-phenyl-10-(3-phenylphenyl)indolizino[2,3-b]indol-7-yl]indolizino[2,3-b]indole
CID 142731141
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
CID 134552415
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
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-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508932
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
CID 135225138
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline (CID 142731130) is N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline is c1ccc(N(c2ccccc2)c2ccc(-c3c4c(c5ccccc5n4-c4ccccc4)n4ccccc34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline?
The InChIKey is SMWDCZFKHHGCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3/c1-4-14-29(15-5-1)40(30-16-6-2-7-17-30)32-25-23-28(24-26-32)36-35-22-12-13-27-39(35)37-33-20-10-11-21-34(33)41(38(36)37)31-18-8-3-9-19-31/h1-27H.
What are the key properties of N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline?
N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline has a molecular weight of 525.66 g/mol, XLogP of 10.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(10-phenylindolizino[2,3-b]indol-11-yl)aniline is sourced from PubChem (CID 142731130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).