3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline

C48H35N — CID 170297648

IUPAC3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline
SMILESCc1ccc2c(c1)-c1cc3ccccc3cc1C2(c1ccccc1)c1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C48H35N/c1-34-27-28-46-44(29-34)45-32-37-15-11-12-16-38(37)33-47(45)48(46,39-19-5-2-6-20-39)40-21-13-17-35(30-40)36-18-14-26-43(31-36)49(41-22-7-3-8-23-41)42-24-9-4-10-25-42/h2-33H,1H3
InChIKeyPMMVGKXEAFGFPB-UHFFFAOYSA-N
MW625.82 g/mol
LogP12.65
Rot. Bonds6

About 3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline

3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline (PubChem CID 170297648) has the molecular formula C48H35N and a molecular weight of 625.82 g/mol. Its IUPAC name is 3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline
PubChem CID170297648
Molecular FormulaC48H35N
Molecular Weight625.82 g/mol
Exact Mass625.28
IUPAC Name3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline
SMILESCc1ccc2c(c1)-c1cc3ccccc3cc1C2(c1ccccc1)c1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C48H35N/c1-34-27-28-46-44(29-34)45-32-37-15-11-12-16-38(37)33-47(45)48(46,39-19-5-2-6-20-39)40-21-13-17-35(30-40)36-18-14-26-43(31-36)49(41-22-7-3-8-23-41)42-24-9-4-10-25-42/h2-33H,1H3
InChIKeyPMMVGKXEAFGFPB-UHFFFAOYSA-N
XLogP12.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 118145832
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
7-methyl-N-(7-methyl-9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-[6-phenyl-9-[4-(N-(3-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 177287799
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290189
N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine
CID 163630464
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 138601435

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline (CID 170297648) is 3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline is Cc1ccc2c(c1)-c1cc3ccccc3cc1C2(c1ccccc1)c1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1.
What is the InChIKey of 3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is PMMVGKXEAFGFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N/c1-34-27-28-46-44(29-34)45-32-37-15-11-12-16-38(37)33-47(45)48(46,39-19-5-2-6-20-39)40-21-13-17-35(30-40)36-18-14-26-43(31-36)49(41-22-7-3-8-23-41)42-24-9-4-10-25-42/h2-33H,1H3.
What are the key properties of 3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline?
3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 625.82 g/mol, XLogP of 12.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 170297648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).