7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine

C39H29NO — CID 170452545

IUPAC7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1c(N(c2ccccc2)c2ccccc2)ccc(-c2ccccc2)c13
InChIInChI=1S/C39H29NO/c1-39(2)33-21-13-12-20-30(33)31-24-32-36(25-34(31)39)41-38-35(23-22-29(37(32)38)26-14-6-3-7-15-26)40(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-25H,1-2H3
InChIKeyVAIDPELXTPGCIO-UHFFFAOYSA-N
MW527.67 g/mol
LogP11.03
Rot. Bonds4

About 7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine

7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine (PubChem CID 170452545) has the molecular formula C39H29NO and a molecular weight of 527.67 g/mol. Its IUPAC name is 7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound Name7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine
PubChem CID170452545
Molecular FormulaC39H29NO
Molecular Weight527.67 g/mol
Exact Mass527.22
IUPAC Name7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1c(N(c2ccccc2)c2ccccc2)ccc(-c2ccccc2)c13
InChIInChI=1S/C39H29NO/c1-39(2)33-21-13-12-20-30(33)31-24-32-36(25-34(31)39)41-38-35(23-22-29(37(32)38)26-14-6-3-7-15-26)40(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-25H,1-2H3
InChIKeyVAIDPELXTPGCIO-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

Analyze 7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine with MolForge

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Related Compounds

4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 159065022
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
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
9,9-dimethyl-N-[4-(17-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433236
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050118
N,N-bis(9,9-dimethylfluoren-2-yl)-16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine
CID 171433657
7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran
CID 158538604
7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine
CID 158550315
11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-4-amine
CID 134393027
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050554
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine?
The IUPAC name of 7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine (CID 170452545) is 7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for 7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for 7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(N(c2ccccc2)c2ccccc2)ccc(-c2ccccc2)c13.
What is the InChIKey of 7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine?
The InChIKey is VAIDPELXTPGCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NO/c1-39(2)33-21-13-12-20-30(33)31-24-32-36(25-34(31)39)41-38-35(23-22-29(37(32)38)26-14-6-3-7-15-26)40(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-25H,1-2H3.
What are the key properties of 7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine?
7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-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,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 170452545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).