N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine

C54H35N3 — CID 145354805

IUPACN-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c5cccc6c7ccccc7n(c34)c65)c2)cc1
InChIInChI=1S/C54H35N3/c1-4-16-36(17-5-1)38-32-39(37-18-6-2-7-19-37)34-42(33-38)55(41-30-31-51-48(35-41)44-23-11-12-27-49(44)56(51)40-20-8-3-9-21-40)52-29-15-26-47-46-25-14-24-45-43-22-10-13-28-50(43)57(53(45)46)54(47)52/h1-35H
InChIKeyUKVCCOSMXPDFDG-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.74
Rot. Bonds6

About N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine

N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine (PubChem CID 145354805) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
PubChem CID145354805
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC NameN-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c5cccc6c7ccccc7n(c34)c65)c2)cc1
InChIInChI=1S/C54H35N3/c1-4-16-36(17-5-1)38-32-39(37-18-6-2-7-19-37)34-42(33-38)55(41-30-31-51-48(35-41)44-23-11-12-27-49(44)56(51)40-20-8-3-9-21-40)52-29-15-26-47-46-25-14-24-45-43-22-10-13-28-50(43)57(53(45)46)54(47)52/h1-35H
InChIKeyUKVCCOSMXPDFDG-UHFFFAOYSA-N
XLogP14.74
TPSA12.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine with MolForge

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Related Compounds

N-(9-phenylcarbazol-2-yl)-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
CID 118963227
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine
CID 169009734
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 148828998
3-[4-[3-[3-[3-[9-(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)carbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-N-[4-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline
CID 129275627
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine (CID 145354805) is N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c5cccc6c7ccccc7n(c34)c65)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
The InChIKey is UKVCCOSMXPDFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-16-36(17-5-1)38-32-39(37-18-6-2-7-19-37)34-42(33-38)55(41-30-31-51-48(35-41)44-23-11-12-27-49(44)56(51)40-20-8-3-9-21-40)52-29-15-26-47-46-25-14-24-45-43-22-10-13-28-50(43)57(53(45)46)54(47)52/h1-35H.
What are the key properties of N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine has a molecular weight of 725.90 g/mol, XLogP of 14.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine is sourced from PubChem (CID 145354805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).