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

C42H29N3 — CID 90223257

IUPACN,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
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc5c(ccc6c5ccn6-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C42H29N3/c1-4-12-31(13-5-1)43-27-26-37-38-29-39-36-18-10-11-19-41(36)45(42(39)28-30(38)20-25-40(37)43)35-23-21-34(22-24-35)44(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-29H
InChIKeyRNMNLAFBVJSNJB-UHFFFAOYSA-N
MW575.72 g/mol
LogP11.35
Rot. Bonds5

About 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

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 (PubChem CID 90223257) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID90223257
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC NameN,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
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc5c(ccc6c5ccn6-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C42H29N3/c1-4-12-31(13-5-1)43-27-26-37-38-29-39-36-18-10-11-19-41(36)45(42(39)28-30(38)20-25-40(37)43)35-23-21-34(22-24-35)44(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-29H
InChIKeyRNMNLAFBVJSNJB-UHFFFAOYSA-N
XLogP11.35
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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
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-[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-[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
7-phenyl-14-(4-pyridin-3-ylphenyl)-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223627
N,9-bis(4-tert-butylphenyl)-N-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]carbazol-3-amine
CID 118315251
5,8-bis(4-carbazol-9-ylphenyl)-5,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene;9-[4-[1-(4-carbazol-9-ylphenyl)pyrrolo[3,2-g]indol-8-yl]phenyl]carbazole;N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-5,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaen-5-yl]aniline;N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]pyrrolo[3,2-g]indol-8-yl]aniline
CID 161495857
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
7-phenyl-14-(2-phenylpyrimidin-5-yl)-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223580
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc5c(ccc6c5ccn6-c5ccccc5)cc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is RNMNLAFBVJSNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-4-12-31(13-5-1)43-27-26-37-38-29-39-36-18-10-11-19-41(36)45(42(39)28-30(38)20-25-40(37)43)35-23-21-34(22-24-35)44(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-29H.
What are the key properties of 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?
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 has a molecular weight of 575.72 g/mol, XLogP of 11.35, 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-(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 is sourced from PubChem (CID 90223257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).