N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine

C64H42N2 — CID 88951489

IUPACN-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine
SMILESC1=CC(n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(=C5c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccc6c(ccc7ccccc76)c5)cc4)ccc32)=CCC1
InChIInChI=1S/C64H42N2/c1-2-15-45(16-3-1)66-61-25-13-12-21-55(61)59-39-43(30-37-62(59)66)41-28-31-46(32-29-41)65(47-33-35-50-44(38-47)27-26-42-14-4-5-17-49(42)50)48-34-36-54-53-20-8-11-24-58(53)64(60(54)40-48)63-56-22-9-6-18-51(56)52-19-7-10-23-57(52)63/h2,4-40H,1,3H2
InChIKeyFDOICPNCBVLAEY-UHFFFAOYSA-N
MW839.05 g/mol
LogP17.40
Rot. Bonds5

About N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine

N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine (PubChem CID 88951489) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine
PubChem CID88951489
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC NameN-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine
SMILESC1=CC(n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(=C5c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccc6c(ccc7ccccc76)c5)cc4)ccc32)=CCC1
InChIInChI=1S/C64H42N2/c1-2-15-45(16-3-1)66-61-25-13-12-21-55(61)59-39-43(30-37-62(59)66)41-28-31-46(32-29-41)65(47-33-35-50-44(38-47)27-26-42-14-4-5-17-49(42)50)48-34-36-54-53-20-8-11-24-58(53)64(60(54)40-48)63-56-22-9-6-18-51(56)52-19-7-10-23-57(52)63/h2,4-40H,1,3H2
InChIKeyFDOICPNCBVLAEY-UHFFFAOYSA-N
XLogP17.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.05
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-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

9-cyclohexa-1,5-dien-1-yl-2-(10-phenanthren-2-ylanthracen-9-yl)carbazole
CID 89189458
N-(9-benzhydrylidenefluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-2-amine
CID 88951508
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
5-(21-cyclohexa-1,5-dien-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 145370657
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170041721
N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90231391
N-[4-[4-[2-(2-cyclohexa-1,5-dien-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166876411
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
CID 169064223

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine?
The IUPAC name of N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine (CID 88951489) is N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine.
What is the SMILES notation for N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine?
The canonical SMILES for N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine is C1=CC(n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(=C5c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccc6c(ccc7ccccc76)c5)cc4)ccc32)=CCC1.
What is the InChIKey of N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine?
The InChIKey is FDOICPNCBVLAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-2-15-45(16-3-1)66-61-25-13-12-21-55(61)59-39-43(30-37-62(59)66)41-28-31-46(32-29-41)65(47-33-35-50-44(38-47)27-26-42-14-4-5-17-49(42)50)48-34-36-54-53-20-8-11-24-58(53)64(60(54)40-48)63-56-22-9-6-18-51(56)52-19-7-10-23-57(52)63/h2,4-40H,1,3H2.
What are the key properties of N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine?
N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine has a molecular weight of 839.05 g/mol, XLogP of 17.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine is sourced from PubChem (CID 88951489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).