N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine

C64H42N2O — CID 170377420

IUPACN-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine
SMILESCN(c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1)c1cccc2c3c(-c4cc5ccccc5c5ccccc45)c4c(cc3n(-c3ccccc3)c12)oc1ccccc14
InChIInChI=1S/C64H42N2O/c1-65(54-36-20-35-53-59(54)48-31-15-17-34-52(48)64(53,42-22-5-2-6-23-42)43-24-7-3-8-25-43)55-37-19-33-50-60-56(66(63(50)55)44-26-9-4-10-27-44)40-58-61(49-32-16-18-38-57(49)67-58)62(60)51-39-41-21-11-12-28-45(41)46-29-13-14-30-47(46)51/h2-40H,1H3
InChIKeyRTSMVCCMIBRUIR-UHFFFAOYSA-N
MW855.05 g/mol
LogP16.79
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine

N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine (PubChem CID 170377420) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine
PubChem CID170377420
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine
SMILESCN(c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1)c1cccc2c3c(-c4cc5ccccc5c5ccccc45)c4c(cc3n(-c3ccccc3)c12)oc1ccccc14
InChIInChI=1S/C64H42N2O/c1-65(54-36-20-35-53-59(54)48-31-15-17-34-52(48)64(53,42-22-5-2-6-23-42)43-24-7-3-8-25-43)55-37-19-33-50-60-56(66(63(50)55)44-26-9-4-10-27-44)40-58-61(49-32-16-18-38-57(49)67-58)62(60)51-39-41-21-11-12-28-45(41)46-29-13-14-30-47(46)51/h2-40H,1H3
InChIKeyRTSMVCCMIBRUIR-UHFFFAOYSA-N
XLogP16.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-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-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170376711
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170377335
N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine
CID 146333018
N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376671
N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377110
N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155305219
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 156688425
N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280358
N-(9,9-diphenylfluoren-4-yl)-N-phenyl-8-(9-phenylcarbazol-3-yl)dibenzofuran-3-amine
CID 129180885
N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424440
12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170377332

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine (CID 170377420) is N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine is CN(c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1)c1cccc2c3c(-c4cc5ccccc5c5ccccc45)c4c(cc3n(-c3ccccc3)c12)oc1ccccc14.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
The InChIKey is RTSMVCCMIBRUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-65(54-36-20-35-53-59(54)48-31-15-17-34-52(48)64(53,42-22-5-2-6-23-42)43-24-7-3-8-25-43)55-37-19-33-50-60-56(66(63(50)55)44-26-9-4-10-27-44)40-58-61(49-32-16-18-38-57(49)67-58)62(60)51-39-41-21-11-12-28-45(41)46-29-13-14-30-47(46)51/h2-40H,1H3.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine has a molecular weight of 855.05 g/mol, XLogP of 16.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine is sourced from PubChem (CID 170377420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).