N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C48H32N2O — CID 129178935

IUPACN-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c34)cc2)cc1
InChIInChI=1S/C48H32N2O/c1-4-14-33(15-5-1)34-26-29-38(30-27-34)49(36-16-6-2-7-17-36)44-24-12-22-42-47-39(21-13-25-46(47)51-48(42)44)35-28-31-41-40-20-10-11-23-43(40)50(45(41)32-35)37-18-8-3-9-19-37/h1-32H
InChIKeyRTYSXLZEVXIJSJ-UHFFFAOYSA-N
MW652.80 g/mol
LogP13.49
Rot. Bonds6

About N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 129178935) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID129178935
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC NameN-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c34)cc2)cc1
InChIInChI=1S/C48H32N2O/c1-4-14-33(15-5-1)34-26-29-38(30-27-34)49(36-16-6-2-7-17-36)44-24-12-22-42-47-39(21-13-25-46(47)51-48(42)44)35-28-31-41-40-20-10-11-23-43(40)50(45(41)32-35)37-18-8-3-9-19-37/h1-32H
InChIKeyRTYSXLZEVXIJSJ-UHFFFAOYSA-N
XLogP13.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 129178921
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330428
N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176795871
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155649265
N,N-diphenyl-5-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795601
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-[4-[4-[2-[2-(N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 166939041
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-1-yl)-N-[2-[3-[9-[3-[4-(3-phenyl-N-[2-(4-phenyldibenzofuran-1-yl)phenyl]anilino)phenyl]phenyl]carbazol-2-yl]phenyl]phenyl]aniline
CID 155398521
11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795822
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398470
N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337780

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 129178935) is N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c34)cc2)cc1.
What is the InChIKey of N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is RTYSXLZEVXIJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-4-14-33(15-5-1)34-26-29-38(30-27-34)49(36-16-6-2-7-17-36)44-24-12-22-42-47-39(21-13-25-46(47)51-48(42)44)35-28-31-41-40-20-10-11-23-43(40)50(45(41)32-35)37-18-8-3-9-19-37/h1-32H.
What are the key properties of N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 652.80 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 129178935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).