N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline

C38H24N4 — CID 126577865

IUPACN,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cc4c5ccccc5n5c6nc7ccccc7nc6c(c3)c45)c2)cc1
InChIInChI=1S/C38H24N4/c1-3-13-27(14-4-1)41(28-15-5-2-6-16-28)29-17-11-12-25(22-29)26-23-31-30-18-7-10-21-35(30)42-37(31)32(24-26)36-38(42)40-34-20-9-8-19-33(34)39-36/h1-24H
InChIKeyCAPPORJOPSEAKA-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.92
Rot. Bonds4

About N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline

N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline (PubChem CID 126577865) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline
PubChem CID126577865
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC NameN,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cc4c5ccccc5n5c6nc7ccccc7nc6c(c3)c45)c2)cc1
InChIInChI=1S/C38H24N4/c1-3-13-27(14-4-1)41(28-15-5-2-6-16-28)29-17-11-12-25(22-29)26-23-31-30-18-7-10-21-35(30)42-37(31)32(24-26)36-38(42)40-34-20-9-8-19-33(34)39-36/h1-24H
InChIKeyCAPPORJOPSEAKA-UHFFFAOYSA-N
XLogP9.92
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline with MolForge

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Related Compounds

3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 138747385
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 71251507
21-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577832
N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
CID 171416696
14-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene
CID 126577980
21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577808
21-(7-phenylbenzo[g]carbazol-9-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577794
14-(9-phenylcarbazol-3-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
CID 126577968
N-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 58037906
7-phenyl-21-(9-phenylcarbazol-4-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4(9),5,7,10,13,15,17,19(23),20-undecaene
CID 126578035
14-(9-methylcarbazol-3-yl)-26-phenyl-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 134386623
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 123734450

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline?
The IUPAC name of N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline (CID 126577865) is N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline.
What is the SMILES notation for N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline?
The canonical SMILES for N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline is c1ccc(N(c2ccccc2)c2cccc(-c3cc4c5ccccc5n5c6nc7ccccc7nc6c(c3)c45)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline?
The InChIKey is CAPPORJOPSEAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-3-13-27(14-4-1)41(28-15-5-2-6-16-28)29-17-11-12-25(22-29)26-23-31-30-18-7-10-21-35(30)42-37(31)32(24-26)36-38(42)40-34-20-9-8-19-33(34)39-36/h1-24H.
What are the key properties of N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline?
N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline has a molecular weight of 536.64 g/mol, XLogP of 9.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)aniline is sourced from PubChem (CID 126577865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).