N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine

C48H32N2O2 — CID 168814675

IUPACN-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2C=C1N(c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C48H32N2O2/c1-2-11-33(12-3-1)50-42-17-7-4-13-36(42)37-28-26-35(30-44(37)50)49(43-18-10-16-41-39-15-6-9-20-46(39)52-48(41)43)34-24-21-31(22-25-34)32-23-27-40-38-14-5-8-19-45(38)51-47(40)29-32/h1-30,37,44H
InChIKeyKNUYNTFDIGXNKP-UHFFFAOYSA-N
MW668.80 g/mol
LogP13.05
Rot. Bonds5

About N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine

N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine (PubChem CID 168814675) has the molecular formula C48H32N2O2 and a molecular weight of 668.80 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine
PubChem CID168814675
Molecular FormulaC48H32N2O2
Molecular Weight668.80 g/mol
Exact Mass668.25
IUPAC NameN-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2C=C1N(c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C48H32N2O2/c1-2-11-33(12-3-1)50-42-17-7-4-13-36(42)37-28-26-35(30-44(37)50)49(43-18-10-16-41-39-15-6-9-20-46(39)52-48(41)43)34-24-21-31(22-25-34)32-23-27-40-38-14-5-8-19-45(38)51-47(40)29-32/h1-30,37,44H
InChIKeyKNUYNTFDIGXNKP-UHFFFAOYSA-N
XLogP13.05
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
17-phenyl-N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050177
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570
2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 145318401
N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167234495
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 174321866
N-(4-dibenzofuran-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804046

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine (CID 168814675) is N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine is C1=CC2c3ccccc3N(c3ccccc3)C2C=C1N(c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine?
The InChIKey is KNUYNTFDIGXNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2/c1-2-11-33(12-3-1)50-42-17-7-4-13-36(42)37-28-26-35(30-44(37)50)49(43-18-10-16-41-39-15-6-9-20-46(39)52-48(41)43)34-24-21-31(22-25-34)32-23-27-40-38-14-5-8-19-45(38)51-47(40)29-32/h1-30,37,44H.
What are the key properties of N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine?
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine has a molecular weight of 668.80 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine is sourced from PubChem (CID 168814675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).