9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C64H47N — CID 177067075

IUPAC9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C)cc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C64H47N/c1-44-26-32-50(33-27-44)63(48-18-8-4-9-19-48)60-25-15-13-23-56(60)58-42-53(39-41-61(58)63)65(52-36-30-47(31-37-52)46-16-6-3-7-17-46)54-38-40-57-55-22-12-14-24-59(55)64(62(57)43-54,49-20-10-5-11-21-49)51-34-28-45(2)29-35-51/h3-43H,1-2H3
InChIKeyPQKULRXCKJHQHE-UHFFFAOYSA-N
MW830.09 g/mol
LogP16.17
Rot. Bonds8

About 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 177067075) has the molecular formula C64H47N and a molecular weight of 830.09 g/mol. Its IUPAC name is 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID177067075
Molecular FormulaC64H47N
Molecular Weight830.09 g/mol
Exact Mass829.37
IUPAC Name9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C)cc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C64H47N/c1-44-26-32-50(33-27-44)63(48-18-8-4-9-19-48)60-25-15-13-23-56(60)58-42-53(39-41-61(58)63)65(52-36-30-47(31-37-52)46-16-6-3-7-17-46)54-38-40-57-55-22-12-14-24-59(55)64(62(57)43-54,49-20-10-5-11-21-49)51-34-28-45(2)29-35-51/h3-43H,1-2H3
InChIKeyPQKULRXCKJHQHE-UHFFFAOYSA-N
XLogP16.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.09
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol
CID 154985556
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
9-(2-bromophenyl)-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118049371
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 177067075) is 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is Cc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C)cc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is PQKULRXCKJHQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N/c1-44-26-32-50(33-27-44)63(48-18-8-4-9-19-48)60-25-15-13-23-56(60)58-42-53(39-41-61(58)63)65(52-36-30-47(31-37-52)46-16-6-3-7-17-46)54-38-40-57-55-22-12-14-24-59(55)64(62(57)43-54,49-20-10-5-11-21-49)51-34-28-45(2)29-35-51/h3-43H,1-2H3.
What are the key properties of 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 830.09 g/mol, XLogP of 16.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177067075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).