4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline

C43H31NO — CID 177121544

IUPAC4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(Nc4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cc3)c21
InChIInChI=1S/C43H31NO/c1-43(2)39-16-6-5-11-35(39)36-14-7-12-32(40(36)43)28-17-22-30(23-18-28)44-31-24-19-29(20-25-31)34-13-8-15-37-38-26-21-27-9-3-4-10-33(27)42(38)45-41(34)37/h3-26,44H,1-2H3
InChIKeyPDOSKJMTBLEVOO-UHFFFAOYSA-N
MW577.73 g/mol
LogP12.12
Rot. Bonds4

About 4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline

4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline (PubChem CID 177121544) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
PubChem CID177121544
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC Name4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(Nc4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cc3)c21
InChIInChI=1S/C43H31NO/c1-43(2)39-16-6-5-11-35(39)36-14-7-12-32(40(36)43)28-17-22-30(23-18-28)44-31-24-19-29(20-25-31)34-13-8-15-37-38-26-21-27-9-3-4-10-33(27)42(38)45-41(34)37/h3-26,44H,1-2H3
InChIKeyPDOSKJMTBLEVOO-UHFFFAOYSA-N
XLogP12.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121842
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121634
N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 166647190
4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121652
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330344
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
CID 122426066
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
16,16-dimethyl-14-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene
CID 130189541
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
The IUPAC name of 4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline (CID 177121544) is 4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
The canonical SMILES for 4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(Nc4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cc3)c21.
What is the InChIKey of 4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
The InChIKey is PDOSKJMTBLEVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-43(2)39-16-6-5-11-35(39)36-14-7-12-32(40(36)43)28-17-22-30(23-18-28)44-31-24-19-29(20-25-31)34-13-8-15-37-38-26-21-27-9-3-4-10-33(27)42(38)45-41(34)37/h3-26,44H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline has a molecular weight of 577.73 g/mol, XLogP of 12.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline is sourced from PubChem (CID 177121544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).