N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine

C55H38N2 — CID 168750689

IUPACN,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5)c5ccccc5N(c5ccccc5)c5c(-c6ccccc6)ccc-4c53)c2)cc1
InChIInChI=1S/C55H38N2/c1-6-19-39(20-7-1)41-23-18-30-45(37-41)56(43-26-12-4-13-27-43)46-33-34-48-49-36-35-47(40-21-8-2-9-22-40)54-53(49)55(51(48)38-46,42-24-10-3-11-25-42)50-31-16-17-32-52(50)57(54)44-28-14-5-15-29-44/h1-38H
InChIKeyINLHWCMCXXIXJI-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.64
Rot. Bonds7

About N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine

N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine (PubChem CID 168750689) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine.

Molecular Properties

Compound NameN,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
PubChem CID168750689
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC NameN,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5)c5ccccc5N(c5ccccc5)c5c(-c6ccccc6)ccc-4c53)c2)cc1
InChIInChI=1S/C55H38N2/c1-6-19-39(20-7-1)41-23-18-30-45(37-41)56(43-26-12-4-13-27-43)46-33-34-48-49-36-35-47(40-21-8-2-9-22-40)54-53(49)55(51(48)38-46,42-24-10-3-11-25-42)50-31-16-17-32-52(50)57(54)44-28-14-5-15-29-44/h1-38H
InChIKeyINLHWCMCXXIXJI-UHFFFAOYSA-N
XLogP14.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine with MolForge

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Related Compounds

N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750833
N-(9,9-diphenylfluoren-2-yl)-1,13-diphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750647
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 158938491
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
10-phenyl-N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166635
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 168750612
1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750848
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168816
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240030
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline
CID 161259967

Frequently Asked Questions

What is the IUPAC name of N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?
The IUPAC name of N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine (CID 168750689) is N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine.
What is the SMILES notation for N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?
The canonical SMILES for N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5)c5ccccc5N(c5ccccc5)c5c(-c6ccccc6)ccc-4c53)c2)cc1.
What is the InChIKey of N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?
The InChIKey is INLHWCMCXXIXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-6-19-39(20-7-1)41-23-18-30-45(37-41)56(43-26-12-4-13-27-43)46-33-34-48-49-36-35-47(40-21-8-2-9-22-40)54-53(49)55(51(48)38-46,42-24-10-3-11-25-42)50-31-16-17-32-52(50)57(54)44-28-14-5-15-29-44/h1-38H.
What are the key properties of N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?
N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine has a molecular weight of 726.92 g/mol, XLogP of 14.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine is sourced from PubChem (CID 168750689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).