N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine

C43H30N2 — CID 123485955

IUPACN,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5c3n4Cc3ccccc3-5)cc2)cc1
InChIInChI=1S/C43H30N2/c1-3-10-30(11-4-1)32-18-22-35(23-19-32)45(36-24-20-33(21-25-36)31-12-5-2-6-13-31)37-26-27-42-41(28-37)40-17-9-16-39-38-15-8-7-14-34(38)29-44(42)43(39)40/h1-28H,29H2
InChIKeyIWMYEUXFVWVCJS-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.63
Rot. Bonds5

About N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine

N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine (PubChem CID 123485955) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine
PubChem CID123485955
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC NameN,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5c3n4Cc3ccccc3-5)cc2)cc1
InChIInChI=1S/C43H30N2/c1-3-10-30(11-4-1)32-18-22-35(23-19-32)45(36-24-20-33(21-25-36)31-12-5-2-6-13-31)37-26-27-42-41(28-37)40-17-9-16-39-38-15-8-7-14-34(38)29-44(42)43(39)40/h1-28H,29H2
InChIKeyIWMYEUXFVWVCJS-UHFFFAOYSA-N
XLogP11.63
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine with MolForge

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Related Compounds

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CID 170246889
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N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
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N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)
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CID 177275846

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine (CID 123485955) is N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5c3n4Cc3ccccc3-5)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine?
The InChIKey is IWMYEUXFVWVCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-3-10-30(11-4-1)32-18-22-35(23-19-32)45(36-24-20-33(21-25-36)31-12-5-2-6-13-31)37-26-27-42-41(28-37)40-17-9-16-39-38-15-8-7-14-34(38)29-44(42)43(39)40/h1-28H,29H2.
What are the key properties of N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine?
N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine has a molecular weight of 574.73 g/mol, XLogP of 11.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine is sourced from PubChem (CID 123485955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).