N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C48H34N2O — CID 155323237

IUPACN-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESC1=Cc2c(n(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc23)CC1
InChIInChI=1S/C48H34N2O/c1-2-11-33(12-3-1)34-21-27-37(28-22-34)49(46-19-10-16-43-42-15-6-9-20-47(42)51-48(43)46)38-29-23-35(24-30-38)36-25-31-39(32-26-36)50-44-17-7-4-13-40(44)41-14-5-8-18-45(41)50/h1-7,9-17,19-32H,8,18H2
InChIKeyGOYBJNAPAKVRRS-UHFFFAOYSA-N
MW654.81 g/mol
LogP13.29
Rot. Bonds6

About N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 155323237) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID155323237
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC NameN-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESC1=Cc2c(n(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc23)CC1
InChIInChI=1S/C48H34N2O/c1-2-11-33(12-3-1)34-21-27-37(28-22-34)49(46-19-10-16-43-42-15-6-9-20-47(42)51-48(43)46)38-29-23-35(24-30-38)36-25-31-39(32-26-36)50-44-17-7-4-13-40(44)41-14-5-8-18-45(41)50/h1-7,9-17,19-32H,8,18H2
InChIKeyGOYBJNAPAKVRRS-UHFFFAOYSA-N
XLogP13.29
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405637
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174280764
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405605
N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172502401
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172501663
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-yl-5-phenylphenyl)dibenzofuran-4-amine
CID 121329721

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 155323237) is N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is C1=Cc2c(n(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc23)CC1.
What is the InChIKey of N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is GOYBJNAPAKVRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-2-11-33(12-3-1)34-21-27-37(28-22-34)49(46-19-10-16-43-42-15-6-9-20-47(42)51-48(43)46)38-29-23-35(24-30-38)36-25-31-39(32-26-36)50-44-17-7-4-13-40(44)41-14-5-8-18-45(41)50/h1-7,9-17,19-32H,8,18H2.
What are the key properties of N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 654.81 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 155323237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).