13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine

C51H33N5O — CID 154646810

IUPAC13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)n(-c3ccccc3)c3nc5oc6ccccc6c5n43)cc2)cc1
InChIInChI=1S/C51H33N5O/c1-4-14-34(15-5-1)35-24-26-38(27-25-35)53(39-28-30-45-43(32-39)41-20-10-12-22-44(41)54(45)36-16-6-2-7-17-36)40-29-31-46-47(33-40)55(37-18-8-3-9-19-37)51-52-50-49(56(46)51)42-21-11-13-23-48(42)57-50/h1-33H
InChIKeyAYLGRGLUSDLPHK-UHFFFAOYSA-N
MW731.86 g/mol
LogP13.41
Rot. Bonds6

About 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine

13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine (PubChem CID 154646810) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine.

Molecular Properties

Compound Name13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine
PubChem CID154646810
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)n(-c3ccccc3)c3nc5oc6ccccc6c5n43)cc2)cc1
InChIInChI=1S/C51H33N5O/c1-4-14-34(15-5-1)35-24-26-38(27-25-35)53(39-28-30-45-43(32-39)41-20-10-12-22-44(41)54(45)36-16-6-2-7-17-36)40-29-31-46-47(33-40)55(37-18-8-3-9-19-37)51-52-50-49(56(46)51)42-21-11-13-23-48(42)57-50/h1-33H
InChIKeyAYLGRGLUSDLPHK-UHFFFAOYSA-N
XLogP13.41
TPSA43.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine with MolForge

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Related Compounds

16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646578
11-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaen-6-amine
CID 154646652
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 155005967
13-phenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646637
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
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

Frequently Asked Questions

What is the IUPAC name of 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine?
The IUPAC name of 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine (CID 154646810) is 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine.
What is the SMILES notation for 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine?
The canonical SMILES for 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)n(-c3ccccc3)c3nc5oc6ccccc6c5n43)cc2)cc1.
What is the InChIKey of 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine?
The InChIKey is AYLGRGLUSDLPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-4-14-34(15-5-1)35-24-26-38(27-25-35)53(39-28-30-45-43(32-39)41-20-10-12-22-44(41)54(45)36-16-6-2-7-17-36)40-29-31-46-47(33-40)55(37-18-8-3-9-19-37)51-52-50-49(56(46)51)42-21-11-13-23-48(42)57-50/h1-33H.
What are the key properties of 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine?
13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine has a molecular weight of 731.86 g/mol, XLogP of 13.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine is sourced from PubChem (CID 154646810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).