6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

C54H42N2 — CID 143437963

IUPAC6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESCCCC(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1n2-c1ccccc1
InChIInChI=1S/C54H42N2/c1-3-16-36(2)37-27-31-52-46(33-37)47-34-40(29-32-53(47)56(52)39-19-8-5-9-20-39)55(38-17-6-4-7-18-38)41-28-30-45-44-23-12-15-26-50(44)54(51(45)35-41)48-24-13-10-21-42(48)43-22-11-14-25-49(43)54/h4-15,17-36H,3,16H2,1-2H3
InChIKeyUYEUOWCSPLPSOK-UHFFFAOYSA-N
MW718.94 g/mol
LogP14.50
Rot. Bonds7

About 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (PubChem CID 143437963) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.

Molecular Properties

Compound Name6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
PubChem CID143437963
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Name6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESCCCC(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1n2-c1ccccc1
InChIInChI=1S/C54H42N2/c1-3-16-36(2)37-27-31-52-46(33-37)47-34-40(29-32-53(47)56(52)39-19-8-5-9-20-39)55(38-17-6-4-7-18-38)41-28-30-45-44-23-12-15-26-50(44)54(51(45)35-41)48-24-13-10-21-42(48)43-22-11-14-25-49(43)54/h4-15,17-36H,3,16H2,1-2H3
InChIKeyUYEUOWCSPLPSOK-UHFFFAOYSA-N
XLogP14.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-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-[4-[3,6-di(butan-2-yl)carbazol-9-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dibutylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159873717
9-phenyl-N-(4-phenylphenyl)-N-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]-11'-ylcarbazol-3-amine
CID 130262866
6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 152855009
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
2-N'-phenyl-2-N'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 175598241
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154597327
5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 169009579
N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 159187067

Frequently Asked Questions

What is the IUPAC name of 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The IUPAC name of 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (CID 143437963) is 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.
What is the SMILES notation for 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The canonical SMILES for 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is CCCC(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1n2-c1ccccc1.
What is the InChIKey of 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The InChIKey is UYEUOWCSPLPSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-3-16-36(2)37-27-31-52-46(33-37)47-34-40(29-32-53(47)56(52)39-19-8-5-9-20-39)55(38-17-6-4-7-18-38)41-28-30-45-44-23-12-15-26-50(44)54(51(45)35-41)48-24-13-10-21-42(48)43-22-11-14-25-49(43)54/h4-15,17-36H,3,16H2,1-2H3.
What are the key properties of 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine has a molecular weight of 718.94 g/mol, XLogP of 14.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-2-yl-N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is sourced from PubChem (CID 143437963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).