N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine

C50H32N2O — CID 168809759

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C50H32N2O/c1-2-11-37(12-3-1)52-47-16-8-6-14-42(47)45-32-40(27-28-48(45)52)51(39-26-22-35-19-18-34-10-4-5-13-41(34)44(35)31-39)38-24-20-33(21-25-38)36-23-29-50-46(30-36)43-15-7-9-17-49(43)53-50/h1-32H
InChIKeyNWBVNUWFSAWYKY-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

About N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine

N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine (PubChem CID 168809759) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
PubChem CID168809759
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C50H32N2O/c1-2-11-37(12-3-1)52-47-16-8-6-14-42(47)45-32-40(27-28-48(45)52)51(39-26-22-35-19-18-34-10-4-5-13-41(34)44(35)31-39)38-24-20-33(21-25-38)36-23-29-50-46(30-36)43-15-7-9-17-49(43)53-50/h1-32H
InChIKeyNWBVNUWFSAWYKY-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.13
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-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
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
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-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 167278176
N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 168809831

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine (CID 168809759) is N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine?
The InChIKey is NWBVNUWFSAWYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-2-11-37(12-3-1)52-47-16-8-6-14-42(47)45-32-40(27-28-48(45)52)51(39-26-22-35-19-18-34-10-4-5-13-41(34)44(35)31-39)38-24-20-33(21-25-38)36-23-29-50-46(30-36)43-15-7-9-17-49(43)53-50/h1-32H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine has a molecular weight of 676.82 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 168809759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).