N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline

C54H34N2O2 — CID 149051843

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccc7oc8ccccc8c7c6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C54H34N2O2/c1-2-11-35(12-3-1)36-21-25-38(26-22-36)55(40-29-31-41(32-30-40)56-46-17-7-4-13-43(46)44-14-5-8-18-47(44)56)39-27-23-37(24-28-39)42-16-10-20-49-52(42)54-51(58-49)34-33-50-53(54)45-15-6-9-19-48(45)57-50/h1-34H
InChIKeyQJYYRDGUDHZUMT-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.39
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline

N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline (PubChem CID 149051843) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline
PubChem CID149051843
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccc7oc8ccccc8c7c6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C54H34N2O2/c1-2-11-35(12-3-1)36-21-25-38(26-22-36)55(40-29-31-41(32-30-40)56-46-17-7-4-13-43(46)44-14-5-8-18-47(44)56)39-27-23-37(24-28-39)42-16-10-20-49-52(42)54-51(58-49)34-33-50-53(54)45-15-6-9-19-48(45)57-50/h1-34H
InChIKeyQJYYRDGUDHZUMT-UHFFFAOYSA-N
XLogP15.39
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline with MolForge

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Related Compounds

4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline
CID 155398018
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 155398223
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155649267
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-phenylaniline
CID 155398448
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 155398161

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline (CID 149051843) is N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccc7oc8ccccc8c7c6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline?
The InChIKey is QJYYRDGUDHZUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-2-11-35(12-3-1)36-21-25-38(26-22-36)55(40-29-31-41(32-30-40)56-46-17-7-4-13-43(46)44-14-5-8-18-47(44)56)39-27-23-37(24-28-39)42-16-10-20-49-52(42)54-51(58-49)34-33-50-53(54)45-15-6-9-19-48(45)57-50/h1-34H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline?
N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline has a molecular weight of 742.88 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 149051843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).