9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane

C50H48N2 — CID 144519696

IUPAC9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane
SMILESCC.Cc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc(C)cc3)cc2)c2ccc3c(c2)C2=CCCC=C2C3(C)C)cc1
InChIInChI=1S/C48H42N2.C2H6/c1-31-10-18-36(19-11-31)49(39-24-25-45-41(30-39)40-8-6-7-9-44(40)48(45,4)5)37-22-15-34(16-23-37)35-17-27-47-43(29-35)42-28-33(3)14-26-46(42)50(47)38-20-12-32(2)13-21-38;1-2/h8-30H,6-7H2,1-5H3;1-2H3
InChIKeyIPXLJAHMDKCJLW-UHFFFAOYSA-N
MW676.95 g/mol
LogP14.27
Rot. Bonds5

About 9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane

9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane (PubChem CID 144519696) has the molecular formula C50H48N2 and a molecular weight of 676.95 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane
PubChem CID144519696
Molecular FormulaC50H48N2
Molecular Weight676.95 g/mol
Exact Mass676.38
IUPAC Name9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane
SMILESCC.Cc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc(C)cc3)cc2)c2ccc3c(c2)C2=CCCC=C2C3(C)C)cc1
InChIInChI=1S/C48H42N2.C2H6/c1-31-10-18-36(19-11-31)49(39-24-25-45-41(30-39)40-8-6-7-9-44(40)48(45,4)5)37-22-15-34(16-23-37)35-17-27-47-43(29-35)42-28-33(3)14-26-46(42)50(47)38-20-12-32(2)13-21-38;1-2/h8-30H,6-7H2,1-5H3;1-2H3
InChIKeyIPXLJAHMDKCJLW-UHFFFAOYSA-N
XLogP14.27
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.95
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine
CID 154935189
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 58383998
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6-methyl-9-phenylcarbazol-3-yl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58384021
4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
CID 170261145
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine
CID 137483501
2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58969350
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 160896823
N-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118282619
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane?
The IUPAC name of 9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane (CID 144519696) is 9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane.
What is the SMILES notation for 9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane?
The canonical SMILES for 9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane is CC.Cc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc(C)cc3)cc2)c2ccc3c(c2)C2=CCCC=C2C3(C)C)cc1.
What is the InChIKey of 9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane?
The InChIKey is IPXLJAHMDKCJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2.C2H6/c1-31-10-18-36(19-11-31)49(39-24-25-45-41(30-39)40-8-6-7-9-44(40)48(45,4)5)37-22-15-34(16-23-37)35-17-27-47-43(29-35)42-28-33(3)14-26-46(42)50(47)38-20-12-32(2)13-21-38;1-2/h8-30H,6-7H2,1-5H3;1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane?
9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane has a molecular weight of 676.95 g/mol, XLogP of 14.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane is sourced from PubChem (CID 144519696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).