N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline

C59H41N — CID 135299735

IUPACN-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccccc6c4-5)cc3)cc2)cc1
InChIInChI=1S/C59H41N/c1-5-17-45(18-6-1)52-26-15-16-28-57(52)60(50-24-11-4-12-25-50)51-37-33-43(34-38-51)42-29-31-44(32-30-42)47-35-39-54-56(41-47)59(48-20-7-2-8-21-48,49-22-9-3-10-23-49)55-40-36-46-19-13-14-27-53(46)58(54)55/h1-41H
InChIKeyCDIGFIXBPIXPRK-UHFFFAOYSA-N
MW763.98 g/mol
LogP15.67
Rot. Bonds8

About N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline

N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline (PubChem CID 135299735) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound NameN-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline
PubChem CID135299735
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC NameN-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccccc6c4-5)cc3)cc2)cc1
InChIInChI=1S/C59H41N/c1-5-17-45(18-6-1)52-26-15-16-28-57(52)60(50-24-11-4-12-25-50)51-37-33-43(34-38-51)42-29-31-44(32-30-42)47-35-39-54-56(41-47)59(48-20-7-2-8-21-48,49-22-9-3-10-23-49)55-40-36-46-19-13-14-27-53(46)58(54)55/h1-41H
InChIKeyCDIGFIXBPIXPRK-UHFFFAOYSA-N
XLogP15.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline
CID 135299717
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 169020349
7,7-diphenyl-N,N-bis(4-phenylphenyl)benzo[c]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[c]fluoren-11-amine;N,N,7,7-tetraphenylbenzo[c]fluoren-4-amine;N,7,7-triphenyl-N-(4-phenylphenyl)benzo[c]fluoren-4-amine
CID 160577595
7,7-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 170538642
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164949149
N-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-3-amine;N-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[4-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159022705
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 159953736
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019479

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline?
The IUPAC name of N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline (CID 135299735) is N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline.
What is the SMILES notation for N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline?
The canonical SMILES for N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccccc6c4-5)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline?
The InChIKey is CDIGFIXBPIXPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-5-17-45(18-6-1)52-26-15-16-28-57(52)60(50-24-11-4-12-25-50)51-37-33-43(34-38-51)42-29-31-44(32-30-42)47-35-39-54-56(41-47)59(48-20-7-2-8-21-48,49-22-9-3-10-23-49)55-40-36-46-19-13-14-27-53(46)58(54)55/h1-41H.
What are the key properties of N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline?
N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline has a molecular weight of 763.98 g/mol, XLogP of 15.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 135299735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).