N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline

C66H41N3O — CID 118188151

IUPACN-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)ccc12
InChIInChI=1S/C66H41N3O/c1-6-16-60-52(11-1)53-12-2-7-17-61(53)68(60)51-36-23-43(24-37-51)42-21-30-48(31-22-42)67(49-32-25-44(26-33-49)46-29-38-57-56-15-5-10-20-64(56)70-65(57)41-46)50-34-27-45(28-35-50)47-39-58-54-13-3-8-18-62(54)69-63-19-9-4-14-55(63)59(40-47)66(58)69/h1-41H
InChIKeyXSQBRHIILLJCCY-UHFFFAOYSA-N
MW892.07 g/mol
LogP18.30
Rot. Bonds7

About N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline

N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline (PubChem CID 118188151) has the molecular formula C66H41N3O and a molecular weight of 892.07 g/mol. Its IUPAC name is N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline
PubChem CID118188151
Molecular FormulaC66H41N3O
Molecular Weight892.07 g/mol
Exact Mass891.32
IUPAC NameN-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)ccc12
InChIInChI=1S/C66H41N3O/c1-6-16-60-52(11-1)53-12-2-7-17-61(53)68(60)51-36-23-43(24-37-51)42-21-30-48(31-22-42)67(49-32-25-44(26-33-49)46-29-38-57-56-15-5-10-20-64(56)70-65(57)41-46)50-34-27-45(28-35-50)47-39-58-54-13-3-8-18-62(54)69-63-19-9-4-14-55(63)59(40-47)66(58)69/h1-41H
InChIKeyXSQBRHIILLJCCY-UHFFFAOYSA-N
XLogP18.30
TPSA25.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.07
LogP ≤ 518.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline with MolForge

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Related Compounds

1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
CID 88590509
4-N-(4-carbazol-9-ylphenyl)-1-N-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-[4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]phenyl]-4-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine;methane
CID 158188840
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-4-yl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]dibenzofuran-3-amine
CID 118180067
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
CID 58510759
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-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118963196
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-4-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-triphenylen-2-ylaniline
CID 118180041
N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 148685552

Frequently Asked Questions

What is the IUPAC name of N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline?
The IUPAC name of N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline (CID 118188151) is N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline.
What is the SMILES notation for N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline?
The canonical SMILES for N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline is c1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)ccc12.
What is the InChIKey of N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline?
The InChIKey is XSQBRHIILLJCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3O/c1-6-16-60-52(11-1)53-12-2-7-17-61(53)68(60)51-36-23-43(24-37-51)42-21-30-48(31-22-42)67(49-32-25-44(26-33-49)46-29-38-57-56-15-5-10-20-64(56)70-65(57)41-46)50-34-27-45(28-35-50)47-39-58-54-13-3-8-18-62(54)69-63-19-9-4-14-55(63)59(40-47)66(58)69/h1-41H.
What are the key properties of N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline?
N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline has a molecular weight of 892.07 g/mol, XLogP of 18.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(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)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline is sourced from PubChem (CID 118188151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).