N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine

C59H40N2 — CID 135299725

IUPACN-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C59H40N2/c1-5-18-44(19-6-1)59(45-20-7-2-8-21-45)54-37-32-42-17-13-14-26-50(42)58(54)52-36-31-43(39-55(52)59)41-29-33-48(34-30-41)60(46-22-9-3-10-23-46)49-35-38-57-53(40-49)51-27-15-16-28-56(51)61(57)47-24-11-4-12-25-47/h1-40H
InChIKeyDFEWJJQTLBAVFJ-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.44
Rot. Bonds7

About N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 135299725) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID135299725
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC NameN-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C59H40N2/c1-5-18-44(19-6-1)59(45-20-7-2-8-21-45)54-37-32-42-17-13-14-26-50(42)58(54)52-36-31-43(39-55(52)59)41-29-33-48(34-30-41)60(46-22-9-3-10-23-46)49-35-38-57-53(40-49)51-27-15-16-28-56(51)61(57)47-24-11-4-12-25-47/h1-40H
InChIKeyDFEWJJQTLBAVFJ-UHFFFAOYSA-N
XLogP15.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 135299727
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
N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167948
N-(7,7-diphenylbenzo[c]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 146364307
N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine
CID 167036355
N-naphthalen-1-yl-9,9-diphenyl-7-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 71290910
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167334048
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-4-yl)-7,7-diphenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 161188931
N-(9,9-dimethylfluoren-2-yl)-N,9-diphenylcarbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157289392
N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline
CID 135299717
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167951

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine (CID 135299725) is N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is DFEWJJQTLBAVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-5-18-44(19-6-1)59(45-20-7-2-8-21-45)54-37-32-42-17-13-14-26-50(42)58(54)52-36-31-43(39-55(52)59)41-29-33-48(34-30-41)60(46-22-9-3-10-23-46)49-35-38-57-53(40-49)51-27-15-16-28-56(51)61(57)47-24-11-4-12-25-47/h1-40H.
What are the key properties of N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 776.98 g/mol, XLogP of 15.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 135299725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).