N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline

C45H35NO — CID 156827193

IUPACN-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccc6c7c(oc6c5)CCC=C7)cc4)c3)ccc21
InChIInChI=1S/C45H35NO/c1-45(2)41-17-8-6-15-37(41)40-28-32(22-26-42(40)45)31-11-10-14-36(27-31)46(34-12-4-3-5-13-34)35-23-19-30(20-24-35)33-21-25-39-38-16-7-9-18-43(38)47-44(39)29-33/h3-8,10-17,19-29H,9,18H2,1-2H3
InChIKeyGBVONJYZFSTUDC-UHFFFAOYSA-N
MW605.78 g/mol
LogP12.50
Rot. Bonds5

About N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline

N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline (PubChem CID 156827193) has the molecular formula C45H35NO and a molecular weight of 605.78 g/mol. Its IUPAC name is N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline
PubChem CID156827193
Molecular FormulaC45H35NO
Molecular Weight605.78 g/mol
Exact Mass605.27
IUPAC NameN-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccc6c7c(oc6c5)CCC=C7)cc4)c3)ccc21
InChIInChI=1S/C45H35NO/c1-45(2)41-17-8-6-15-37(41)40-28-32(22-26-42(40)45)31-11-10-14-36(27-31)46(34-12-4-3-5-13-34)35-23-19-30(20-24-35)33-21-25-39-38-16-7-9-18-43(38)47-44(39)29-33/h3-8,10-17,19-29H,9,18H2,1-2H3
InChIKeyGBVONJYZFSTUDC-UHFFFAOYSA-N
XLogP12.50
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.78
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 156826935
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 122493599
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 162510720

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline?
The IUPAC name of N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline (CID 156827193) is N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline.
What is the SMILES notation for N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline?
The canonical SMILES for N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline is CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccc6c7c(oc6c5)CCC=C7)cc4)c3)ccc21.
What is the InChIKey of N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline?
The InChIKey is GBVONJYZFSTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35NO/c1-45(2)41-17-8-6-15-37(41)40-28-32(22-26-42(40)45)31-11-10-14-36(27-31)46(34-12-4-3-5-13-34)35-23-19-30(20-24-35)33-21-25-39-38-16-7-9-18-43(38)47-44(39)29-33/h3-8,10-17,19-29H,9,18H2,1-2H3.
What are the key properties of N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline?
N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline has a molecular weight of 605.78 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline is sourced from PubChem (CID 156827193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).