N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine

C54H34N2O — CID 167038212

IUPACN-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)c4ccc5oc6ccccc6c5c4)cc3)ccc12
InChIInChI=1S/C54H34N2O/c1-3-11-44-36(9-1)17-18-39-33-38(21-30-45(39)44)35-19-23-40(24-20-35)55(43-29-32-53-49(34-43)47-13-6-8-16-52(47)57-53)41-25-27-42(28-26-41)56-50-15-7-5-14-48(50)54-46-12-4-2-10-37(46)22-31-51(54)56/h1-34H
InChIKeyJKBGAPARYLWNKR-UHFFFAOYSA-N
MW726.88 g/mol
LogP15.28
Rot. Bonds5

About N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine

N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine (PubChem CID 167038212) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
PubChem CID167038212
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC NameN-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)c4ccc5oc6ccccc6c5c4)cc3)ccc12
InChIInChI=1S/C54H34N2O/c1-3-11-44-36(9-1)17-18-39-33-38(21-30-45(39)44)35-19-23-40(24-20-35)55(43-29-32-53-49(34-43)47-13-6-8-16-52(47)57-53)41-25-27-42(28-26-41)56-50-15-7-5-14-48(50)54-46-12-4-2-10-37(46)22-31-51(54)56/h1-34H
InChIKeyJKBGAPARYLWNKR-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809759
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline
CID 147669790
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140913945
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)phenanthren-2-amine
CID 153314772
N-[4-(7-phenylbenzo[c]carbazol-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 166847555
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-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170033937
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 140913685
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 167278176
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 58510687

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine (CID 167038212) is N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine is c1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)c4ccc5oc6ccccc6c5c4)cc3)ccc12.
What is the InChIKey of N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine?
The InChIKey is JKBGAPARYLWNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-11-44-36(9-1)17-18-39-33-38(21-30-45(39)44)35-19-23-40(24-20-35)55(43-29-32-53-49(34-43)47-13-6-8-16-52(47)57-53)41-25-27-42(28-26-41)56-50-15-7-5-14-48(50)54-46-12-4-2-10-37(46)22-31-51(54)56/h1-34H.
What are the key properties of N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine?
N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine has a molecular weight of 726.88 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 167038212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).