N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine

C64H41N3 — CID 140725988

IUPACN-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
SMILES[C-]#[N+]c1ccc(C2(c3ccc([N+]#[C-])cc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccccc4)ccc32)cc1
InChIInChI=1S/C64H41N3/c1-65-49-34-30-47(31-35-49)63(48-32-36-50(66-2)37-33-48)59-28-16-13-26-55(59)57-42-51(39-41-60(57)63)67(62-29-17-14-24-53(62)44-18-6-3-7-19-44)52-38-40-56-54-25-12-15-27-58(54)64(61(56)43-52,45-20-8-4-9-21-45)46-22-10-5-11-23-46/h3-43H
InChIKeyAIHZUDFAYGBXJF-UHFFFAOYSA-N
MW852.05 g/mol
LogP16.65
Rot. Bonds8

About N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine

N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 140725988) has the molecular formula C64H41N3 and a molecular weight of 852.05 g/mol. Its IUPAC name is N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID140725988
Molecular FormulaC64H41N3
Molecular Weight852.05 g/mol
Exact Mass851.33
IUPAC NameN-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
SMILES[C-]#[N+]c1ccc(C2(c3ccc([N+]#[C-])cc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccccc4)ccc32)cc1
InChIInChI=1S/C64H41N3/c1-65-49-34-30-47(31-35-49)63(48-32-36-50(66-2)37-33-48)59-28-16-13-26-55(59)57-42-51(39-41-60(57)63)67(62-29-17-14-24-53(62)44-18-6-3-7-19-44)52-38-40-56-54-25-12-15-27-58(54)64(61(56)43-52,45-20-8-4-9-21-45)46-22-10-5-11-23-46/h3-43H
InChIKeyAIHZUDFAYGBXJF-UHFFFAOYSA-N
XLogP16.65
TPSA11.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)tetraphenylen-2-amine
CID 139297876
4-[2-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-9-(4-isocyanophenyl)fluoren-9-yl]benzonitrile
CID 123615196
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159940117
ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine
CID 160845132
9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171451168
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine (CID 140725988) is N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine is [C-]#[N+]c1ccc(C2(c3ccc([N+]#[C-])cc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccccc4)ccc32)cc1.
What is the InChIKey of N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is AIHZUDFAYGBXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3/c1-65-49-34-30-47(31-35-49)63(48-32-36-50(66-2)37-33-48)59-28-16-13-26-55(59)57-42-51(39-41-60(57)63)67(62-29-17-14-24-53(62)44-18-6-3-7-19-44)52-38-40-56-54-25-12-15-27-58(54)64(61(56)43-52,45-20-8-4-9-21-45)46-22-10-5-11-23-46/h3-43H.
What are the key properties of N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine?
N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 852.05 g/mol, XLogP of 16.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(4-isocyanophenyl)fluoren-3-yl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 140725988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).