N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine

C63H41N — CID 130308572

IUPACN-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21
InChIInChI=1S/C63H41N/c1-62(40-19-3-2-4-20-40)54-31-13-9-27-49(54)51-29-17-35-58(60(51)62)64(41-37-38-46-44-23-6-5-21-42(44)43-22-7-8-24-45(43)53(46)39-41)59-36-18-30-52-50-28-12-16-34-57(50)63(61(52)59)55-32-14-10-25-47(55)48-26-11-15-33-56(48)63/h2-39H,1H3
InChIKeyCNTAEVPYAVEJQX-UHFFFAOYSA-N
MW812.03 g/mol
LogP16.29
Rot. Bonds4

About N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine

N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine (PubChem CID 130308572) has the molecular formula C63H41N and a molecular weight of 812.03 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
PubChem CID130308572
Molecular FormulaC63H41N
Molecular Weight812.03 g/mol
Exact Mass811.32
IUPAC NameN-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21
InChIInChI=1S/C63H41N/c1-62(40-19-3-2-4-20-40)54-31-13-9-27-49(54)51-29-17-35-58(60(51)62)64(41-37-38-46-44-23-6-5-21-42(44)43-22-7-8-24-45(43)53(46)39-41)59-36-18-30-52-50-28-12-16-34-57(50)63(61(52)59)55-32-14-10-25-47(55)48-26-11-15-33-56(48)63/h2-39H,1H3
InChIKeyCNTAEVPYAVEJQX-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.03
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308422
N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine
CID 169061763
N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062154
N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308426
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308581
N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine
CID 171453417
N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169061823
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine
CID 169063787
N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063963
N-(9,9'-spirobi[fluorene]-2-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-1-amine
CID 130309037
N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N,N-bis(9,9-diphenylfluoren-4-yl)triphenylen-2-amine
CID 159512950

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine (CID 130308572) is N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine is CC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is CNTAEVPYAVEJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N/c1-62(40-19-3-2-4-20-40)54-31-13-9-27-49(54)51-29-17-35-58(60(51)62)64(41-37-38-46-44-23-6-5-21-42(44)43-22-7-8-24-45(43)53(46)39-41)59-36-18-30-52-50-28-12-16-34-57(50)63(61(52)59)55-32-14-10-25-47(55)48-26-11-15-33-56(48)63/h2-39H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 812.03 g/mol, XLogP of 16.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 130308572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).