2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline

C34H30N2 — CID 118507114

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline
SMILESCC1C=Cc2c(c3ccccc3n2-c2ccc(N)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)C1
InChIInChI=1S/C34H30N2/c1-21-12-17-33-28(18-21)26-9-5-7-11-32(26)36(33)23-14-16-31(35)27(20-23)22-13-15-25-24-8-4-6-10-29(24)34(2,3)30(25)19-22/h4-17,19-21H,18,35H2,1-3H3
InChIKeyFQQONVYLRIBKHE-UHFFFAOYSA-N
MW466.63 g/mol
LogP8.39
Rot. Bonds2

About 2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline

2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline (PubChem CID 118507114) has the molecular formula C34H30N2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline
PubChem CID118507114
Molecular FormulaC34H30N2
Molecular Weight466.63 g/mol
Exact Mass466.24
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline
SMILESCC1C=Cc2c(c3ccccc3n2-c2ccc(N)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)C1
InChIInChI=1S/C34H30N2/c1-21-12-17-33-28(18-21)26-9-5-7-11-32(26)36(33)23-14-16-31(35)27(20-23)22-13-15-25-24-8-4-6-10-29(24)34(2,3)30(25)19-22/h4-17,19-21H,18,35H2,1-3H3
InChIKeyFQQONVYLRIBKHE-UHFFFAOYSA-N
XLogP8.39
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
CID 138548370
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
CID 121337153
9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166906503
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-2-methyl-1,2-dihydrobenzo[b]carbazole
CID 134603629
5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole
CID 129084148
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline (CID 118507114) is 2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline is CC1C=Cc2c(c3ccccc3n2-c2ccc(N)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)C1.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline?
The InChIKey is FQQONVYLRIBKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2/c1-21-12-17-33-28(18-21)26-9-5-7-11-32(26)36(33)23-14-16-31(35)27(20-23)22-13-15-25-24-8-4-6-10-29(24)34(2,3)30(25)19-22/h4-17,19-21H,18,35H2,1-3H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline?
2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline has a molecular weight of 466.63 g/mol, XLogP of 8.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline is sourced from PubChem (CID 118507114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).