9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine

C66H46N2 — CID 170304172

IUPAC9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21
InChIInChI=1S/C66H46N2/c1-66(48-26-7-3-8-27-48)59-37-14-11-31-54(59)55-42-41-51(44-60(55)66)67(61-38-15-12-32-56(61)57-36-19-24-46-23-18-34-52(64(46)57)45-21-5-2-6-22-45)50-30-17-25-47(43-50)53-35-20-40-63-65(53)58-33-13-16-39-62(58)68(63)49-28-9-4-10-29-49/h2-44H,1H3
InChIKeyXCSQOKMGKHFAOF-UHFFFAOYSA-N
MW867.11 g/mol
LogP17.74
Rot. Bonds8

About 9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine

9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170304172) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170304172
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC Name9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21
InChIInChI=1S/C66H46N2/c1-66(48-26-7-3-8-27-48)59-37-14-11-31-54(59)55-42-41-51(44-60(55)66)67(61-38-15-12-32-56(61)57-36-19-24-46-23-18-34-52(64(46)57)45-21-5-2-6-22-45)50-30-17-25-47(43-50)53-35-20-40-63-65(53)58-33-13-16-39-62(58)68(63)49-28-9-4-10-29-49/h2-44H,1H3
InChIKeyXCSQOKMGKHFAOF-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170304175
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304489
2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304285
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170115713
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304316
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304314
N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119206
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170111363
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170304169

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170304172) is 9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21.
What is the InChIKey of 9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is XCSQOKMGKHFAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-66(48-26-7-3-8-27-48)59-37-14-11-31-54(59)55-42-41-51(44-60(55)66)67(61-38-15-12-32-56(61)57-36-19-24-46-23-18-34-52(64(46)57)45-21-5-2-6-22-45)50-30-17-25-47(43-50)53-35-20-40-63-65(53)58-33-13-16-39-62(58)68(63)49-28-9-4-10-29-49/h2-44H,1H3.
What are the key properties of 9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 867.11 g/mol, XLogP of 17.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170304172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).