N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine

C33H22N2 — CID 156512724

IUPACN,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)-c2ccccc2-c2cnccc2-3)cc1
InChIInChI=1S/C33H22N2/c1-3-10-23(11-4-1)35(24-12-5-2-6-13-24)32-19-18-29-27-20-21-34-22-31(27)26-15-8-7-14-25(26)28-16-9-17-30(32)33(28)29/h1-22H
InChIKeyGXSNUSGNAVAABX-UHFFFAOYSA-N
MW446.55 g/mol
LogP9.02
Rot. Bonds3

About N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine

N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine (PubChem CID 156512724) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine.

Molecular Properties

Compound NameN,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine
PubChem CID156512724
Molecular FormulaC33H22N2
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC NameN,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)-c2ccccc2-c2cnccc2-3)cc1
InChIInChI=1S/C33H22N2/c1-3-10-23(11-4-1)35(24-12-5-2-6-13-24)32-19-18-29-27-20-21-34-22-31(27)26-15-8-7-14-25(26)28-16-9-17-30(32)33(28)29/h1-22H
InChIKeyGXSNUSGNAVAABX-UHFFFAOYSA-N
XLogP9.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine with MolForge

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Related Compounds

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CID 162774273
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
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CID 118312558
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-amine
CID 146509754
2-N,6-N-di(fluoranthen-3-yl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine
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N-fluoranthen-3-yl-N-phenyl-1,4-dihydro-1,3,5-triazin-2-amine
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N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine
CID 67365900
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CID 175195276
3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine
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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine?
The IUPAC name of N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine (CID 156512724) is N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine.
What is the SMILES notation for N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine?
The canonical SMILES for N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine is c1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)-c2ccccc2-c2cnccc2-3)cc1.
What is the InChIKey of N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine?
The InChIKey is GXSNUSGNAVAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-3-10-23(11-4-1)35(24-12-5-2-6-13-24)32-19-18-29-27-20-21-34-22-31(27)26-15-8-7-14-25(26)28-16-9-17-30(32)33(28)29/h1-22H.
What are the key properties of N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine?
N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine has a molecular weight of 446.55 g/mol, XLogP of 9.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine is sourced from PubChem (CID 156512724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).