9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine

C62H44N2 — CID 58795280

IUPAC9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCc1ccc(C2(c3cccc4ccccc34)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C62H44N2/c1-43-27-31-49(32-28-43)62(59-26-14-20-46-17-12-13-25-56(46)59)60-41-54(63(50-21-4-2-5-22-50)52-33-29-44-15-8-10-18-47(44)39-52)35-37-57(60)58-38-36-55(42-61(58)62)64(51-23-6-3-7-24-51)53-34-30-45-16-9-11-19-48(45)40-53/h2-42H,1H3
InChIKeyKTXUPCUCOXPAPU-UHFFFAOYSA-N
MW817.05 g/mol
LogP16.76
Rot. Bonds8

About 9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine

9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 58795280) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID58795280
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCc1ccc(C2(c3cccc4ccccc34)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C62H44N2/c1-43-27-31-49(32-28-43)62(59-26-14-20-46-17-12-13-25-56(46)59)60-41-54(63(50-21-4-2-5-22-50)52-33-29-44-15-8-10-18-47(44)39-52)35-37-57(60)58-38-36-55(42-61(58)62)64(51-23-6-3-7-24-51)53-34-30-45-16-9-11-19-48(45)40-53/h2-42H,1H3
InChIKeyKTXUPCUCOXPAPU-UHFFFAOYSA-N
XLogP16.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,7-N-bis(4-methylphenyl)-9-phenyl-9-(4-phenylphenyl)-2-N,7-N-di(pyren-4-yl)fluorene-2,7-diamine;2-N,7-N-bis(4-methylphenyl)-2-N,7-N,9-trinaphthalen-1-yl-9-phenylfluorene-2,7-diamine;9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine;2-N,7-N,9-trinaphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine
CID 161372252
2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine
CID 58795238
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N,N-bis(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-amine
CID 137493209
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713
N-(11-naphthalen-1-yl-11-naphthalen-2-ylbenzo[b]fluoren-2-yl)-N,9-diphenylcarbazol-2-amine
CID 167036327
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 58795280) is 9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine is Cc1ccc(C2(c3cccc4ccccc34)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is KTXUPCUCOXPAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-43-27-31-49(32-28-43)62(59-26-14-20-46-17-12-13-25-56(46)59)60-41-54(63(50-21-4-2-5-22-50)52-33-29-44-15-8-10-18-47(44)39-52)35-37-57(60)58-38-36-55(42-61(58)62)64(51-23-6-3-7-24-51)53-34-30-45-16-9-11-19-48(45)40-53/h2-42H,1H3.
What are the key properties of 9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 817.05 g/mol, XLogP of 16.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 58795280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).