9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine

C62H45N — CID 90277842

IUPAC9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccc(C2(c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)ccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc32)cc1
InChIInChI=1S/C62H45N/c1-44-25-34-54(35-26-44)62(53-22-12-5-13-23-53)60-42-52(50-29-27-48(28-30-50)45-15-6-2-7-16-45)33-39-58(60)59-40-38-57(43-61(59)62)63(55-36-31-49(32-37-55)46-17-8-3-9-18-46)56-24-14-21-51(41-56)47-19-10-4-11-20-47/h2-43H,1H3
InChIKeyFSDKOYCHNCHBTM-UHFFFAOYSA-N
MW804.05 g/mol
LogP16.50
Rot. Bonds9

About 9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine

9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 90277842) has the molecular formula C62H45N and a molecular weight of 804.05 g/mol. Its IUPAC name is 9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID90277842
Molecular FormulaC62H45N
Molecular Weight804.05 g/mol
Exact Mass803.36
IUPAC Name9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccc(C2(c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)ccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc32)cc1
InChIInChI=1S/C62H45N/c1-44-25-34-54(35-26-44)62(53-22-12-5-13-23-53)60-42-52(50-29-27-48(28-30-50)45-15-6-2-7-16-45)33-39-58(60)59-40-38-57(43-61(59)62)63(55-36-31-49(32-37-55)46-17-8-3-9-18-46)56-24-14-21-51(41-56)47-19-10-4-11-20-47/h2-43H,1H3
InChIKeyFSDKOYCHNCHBTM-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.05
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
7-[4-[3-(N-[9,9-dimethyl-6-[3-[4-[9-(4-methylphenyl)-9-phenyl-7-(4-phenyl-N-(3-phenylphenyl)anilino)fluoren-2-yl]phenyl]phenyl]fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
CID 137443934
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
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-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 118532996

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine (CID 90277842) is 9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine is Cc1ccc(C2(c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)ccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is FSDKOYCHNCHBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N/c1-44-25-34-54(35-26-44)62(53-22-12-5-13-23-53)60-42-52(50-29-27-48(28-30-50)45-15-6-2-7-16-45)33-39-58(60)59-40-38-57(43-61(59)62)63(55-36-31-49(32-37-55)46-17-8-3-9-18-46)56-24-14-21-51(41-56)47-19-10-4-11-20-47/h2-43H,1H3.
What are the key properties of 9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine?
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 804.05 g/mol, XLogP of 16.50, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 90277842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).