N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C62H41N — CID 121423683

IUPACN-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H41N/c1-4-21-42(22-5-1)46-27-14-19-37-58(46)63(45-39-40-56-51(41-45)49-30-12-15-32-52(49)61(56,43-23-6-2-7-24-43)44-25-8-3-9-26-44)59-38-20-36-57-60(59)50-31-13-18-35-55(50)62(57)53-33-16-10-28-47(53)48-29-11-17-34-54(48)62/h1-41H
InChIKeyHFAAJNKAGJWWBU-UHFFFAOYSA-N
MW800.02 g/mol
LogP15.53
Rot. Bonds6

About N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 121423683) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID121423683
Molecular FormulaC62H41N
Molecular Weight800.02 g/mol
Exact Mass799.32
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H41N/c1-4-21-42(22-5-1)46-27-14-19-37-58(46)63(45-39-40-56-51(41-45)49-30-12-15-32-52(49)61(56,43-23-6-2-7-24-43)44-25-8-3-9-26-44)59-38-20-36-57-60(59)50-31-13-18-35-55(50)62(57)53-33-16-10-28-47(53)48-29-11-17-34-54(48)62/h1-41H
InChIKeyHFAAJNKAGJWWBU-UHFFFAOYSA-N
XLogP15.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423691
N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423694
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 134487997
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160756851
N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine;N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 159770549
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 160891941
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168789109
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 170143599
N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 121423349

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 121423683) is N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is HFAAJNKAGJWWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-4-21-42(22-5-1)46-27-14-19-37-58(46)63(45-39-40-56-51(41-45)49-30-12-15-32-52(49)61(56,43-23-6-2-7-24-43)44-25-8-3-9-26-44)59-38-20-36-57-60(59)50-31-13-18-35-55(50)62(57)53-33-16-10-28-47(53)48-29-11-17-34-54(48)62/h1-41H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 800.02 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 121423683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).