N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine

C57H43N — CID 142589214

IUPACN-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4C4(CCCCC4)c4ccccc4-5)c4cc5ccccc5c5ccccc45)cc32)cc1
InChIInChI=1S/C57H43N/c1-4-20-40(21-5-1)57(41-22-6-2-7-23-41)51-31-15-13-26-45(51)47-34-33-42(38-52(47)57)58(54-37-39-19-8-9-24-43(39)44-25-10-11-28-48(44)54)53-32-18-29-49-46-27-12-14-30-50(46)56(55(49)53)35-16-3-17-36-56/h1-2,4-15,18-34,37-38H,3,16-17,35-36H2
InChIKeyAVVSYDBHZBSOEG-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.06
Rot. Bonds5

About N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine

N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine (PubChem CID 142589214) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine
PubChem CID142589214
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4C4(CCCCC4)c4ccccc4-5)c4cc5ccccc5c5ccccc45)cc32)cc1
InChIInChI=1S/C57H43N/c1-4-20-40(21-5-1)57(41-22-6-2-7-23-41)51-31-15-13-26-45(51)47-34-33-42(38-52(47)57)58(54-37-39-19-8-9-24-43(39)44-25-10-11-28-48(44)54)53-32-18-29-49-46-27-12-14-30-50(46)56(55(49)53)35-16-3-17-36-56/h1-2,4-15,18-34,37-38H,3,16-17,35-36H2
InChIKeyAVVSYDBHZBSOEG-UHFFFAOYSA-N
XLogP15.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-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-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine
CID 170118779
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine
CID 171453294
3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 159608406
3'-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729545
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405737
N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304763
N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 139297927
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155303585

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine (CID 142589214) is N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4C4(CCCCC4)c4ccccc4-5)c4cc5ccccc5c5ccccc45)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine?
The InChIKey is AVVSYDBHZBSOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-4-20-40(21-5-1)57(41-22-6-2-7-23-41)51-31-15-13-26-45(51)47-34-33-42(38-52(47)57)58(54-37-39-19-8-9-24-43(39)44-25-10-11-28-48(44)54)53-32-18-29-49-46-27-12-14-30-50(46)56(55(49)53)35-16-3-17-36-56/h1-2,4-15,18-34,37-38H,3,16-17,35-36H2.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine?
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine has a molecular weight of 741.98 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine is sourced from PubChem (CID 142589214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).