N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine

C41H38N2 — CID 166670977

IUPACN-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine
SMILESCC1C=CC=C(N2c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3C3(C)C=CC=CC23)C1
InChIInChI=1S/C41H38N2/c1-28-13-12-16-30(25-28)43-38-23-21-32(27-37(38)41(4)24-11-10-19-39(41)43)42(29-14-6-5-7-15-29)31-20-22-34-33-17-8-9-18-35(33)40(2,3)36(34)26-31/h5-24,26-28,39H,25H2,1-4H3
InChIKeyHOSWPAXWQHDJIA-UHFFFAOYSA-N
MW558.77 g/mol
LogP10.51
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine (PubChem CID 166670977) has the molecular formula C41H38N2 and a molecular weight of 558.77 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine
PubChem CID166670977
Molecular FormulaC41H38N2
Molecular Weight558.77 g/mol
Exact Mass558.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine
SMILESCC1C=CC=C(N2c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3C3(C)C=CC=CC23)C1
InChIInChI=1S/C41H38N2/c1-28-13-12-16-30(25-28)43-38-23-21-32(27-37(38)41(4)24-11-10-19-39(41)43)42(29-14-6-5-7-15-29)31-20-22-34-33-17-8-9-18-35(33)40(2,3)36(34)26-31/h5-24,26-28,39H,25H2,1-4H3
InChIKeyHOSWPAXWQHDJIA-UHFFFAOYSA-N
XLogP10.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.77
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-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

9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine
CID 138671654
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122487902
N-(9,9-dimethylfluoren-2-yl)-4'b,7-dimethyl-N-[4-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]spiro[7,8-dihydrofluorene-9,9'-8aH-fluorene]-2-amine
CID 146492826
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine (CID 166670977) is N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine is CC1C=CC=C(N2c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3C3(C)C=CC=CC23)C1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine?
The InChIKey is HOSWPAXWQHDJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N2/c1-28-13-12-16-30(25-28)43-38-23-21-32(27-37(38)41(4)24-11-10-19-39(41)43)42(29-14-6-5-7-15-29)31-20-22-34-33-17-8-9-18-35(33)40(2,3)36(34)26-31/h5-24,26-28,39H,25H2,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine has a molecular weight of 558.77 g/mol, XLogP of 10.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine is sourced from PubChem (CID 166670977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).