N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C49H34N2O — CID 170243694

IUPACN-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C49H34N2O/c1-33-21-30-46-44(31-33)41-15-5-7-18-45(41)51(46)40-14-9-13-37(32-40)36-24-28-39(29-25-36)50(38-26-22-35(23-27-38)34-11-3-2-4-12-34)47-19-10-17-43-42-16-6-8-20-48(42)52-49(43)47/h2-32H,1H3
InChIKeyGRTZPWVZHPMMPH-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.80
Rot. Bonds6

About N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 170243694) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID170243694
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC NameN-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C49H34N2O/c1-33-21-30-46-44(31-33)41-15-5-7-18-45(41)51(46)40-14-9-13-37(32-40)36-24-28-39(29-25-36)50(38-26-22-35(23-27-38)34-11-3-2-4-12-34)47-19-10-17-43-42-16-6-8-20-48(42)52-49(43)47/h2-32H,1H3
InChIKeyGRTZPWVZHPMMPH-UHFFFAOYSA-N
XLogP13.80
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N,N,9-tris(4-phenylphenyl)carbazol-3-amine
CID 159738189
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 131997540
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
N-phenyl-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 164724953
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405605
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 166031741
N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 170279477
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
N-dibenzofuran-4-yl-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 58510703
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314971

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 170243694) is N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc2)c1.
What is the InChIKey of N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is GRTZPWVZHPMMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-33-21-30-46-44(31-33)41-15-5-7-18-45(41)51(46)40-14-9-13-37(32-40)36-24-28-39(29-25-36)50(38-26-22-35(23-27-38)34-11-3-2-4-12-34)47-19-10-17-43-42-16-6-8-20-48(42)52-49(43)47/h2-32H,1H3.
What are the key properties of N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 666.82 g/mol, XLogP of 13.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 170243694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).