7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine

C39H29NO — CID 134393175

IUPAC7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)c13
InChIInChI=1S/C39H29NO/c1-39(2)33-17-10-9-16-30(33)31-24-32-37(25-34(31)39)41-36-19-11-18-35(38(32)36)40(28-14-7-4-8-15-28)29-22-20-27(21-23-29)26-12-5-3-6-13-26/h3-25H,1-2H3
InChIKeyJCGZWDHAEMEFKX-UHFFFAOYSA-N
MW527.67 g/mol
LogP11.03
Rot. Bonds4

About 7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine

7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine (PubChem CID 134393175) has the molecular formula C39H29NO and a molecular weight of 527.67 g/mol. Its IUPAC name is 7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
PubChem CID134393175
Molecular FormulaC39H29NO
Molecular Weight527.67 g/mol
Exact Mass527.22
IUPAC Name7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)c13
InChIInChI=1S/C39H29NO/c1-39(2)33-17-10-9-16-30(33)31-24-32-37(25-34(31)39)41-36-19-11-18-35(38(32)36)40(28-14-7-4-8-15-28)29-22-20-27(21-23-29)26-12-5-3-6-13-26/h3-25H,1-2H3
InChIKeyJCGZWDHAEMEFKX-UHFFFAOYSA-N
XLogP11.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393185
N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050058
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-amine
CID 170353028
7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine
CID 158550315
4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 159065022
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine
CID 164934333
7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine
CID 170452545
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
CID 170666178
N-(9,9-dimethylfluoren-2-yl)-8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 163862815
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
The IUPAC name of 7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine (CID 134393175) is 7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for 7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for 7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)c13.
What is the InChIKey of 7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
The InChIKey is JCGZWDHAEMEFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NO/c1-39(2)33-17-10-9-16-30(33)31-24-32-37(25-34(31)39)41-36-19-11-18-35(38(32)36)40(28-14-7-4-8-15-28)29-22-20-27(21-23-29)26-12-5-3-6-13-26/h3-25H,1-2H3.
What are the key properties of 7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine has a molecular weight of 527.67 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 134393175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).