8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine

C37H27NO — CID 163712380

IUPAC8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1ccc2oc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3c2c1
InChIInChI=1S/C37H27NO/c1-26-12-22-36-34(24-26)35-25-33(21-23-37(35)39-36)38(31-17-13-29(14-18-31)27-8-4-2-5-9-27)32-19-15-30(16-20-32)28-10-6-3-7-11-28/h2-25H,1H3
InChIKeyKKJRCUINSMVSNZ-UHFFFAOYSA-N
MW501.63 g/mol
LogP10.70
Rot. Bonds5

About 8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine

8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 163712380) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is 8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID163712380
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC Name8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1ccc2oc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3c2c1
InChIInChI=1S/C37H27NO/c1-26-12-22-36-34(24-26)35-25-33(21-23-37(35)39-36)38(31-17-13-29(14-18-31)27-8-4-2-5-9-27)32-19-15-30(16-20-32)28-10-6-3-7-11-28/h2-25H,1H3
InChIKeyKKJRCUINSMVSNZ-UHFFFAOYSA-N
XLogP10.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine
CID 23594512
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
16-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050361
2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 164952868
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine (CID 163712380) is 8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine is Cc1ccc2oc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3c2c1.
What is the InChIKey of 8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is KKJRCUINSMVSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-26-12-22-36-34(24-26)35-25-33(21-23-37(35)39-36)38(31-17-13-29(14-18-31)27-8-4-2-5-9-27)32-19-15-30(16-20-32)28-10-6-3-7-11-28/h2-25H,1H3.
What are the key properties of 8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 501.63 g/mol, XLogP of 10.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 163712380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).