2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine

C55H46N2 — CID 144856777

IUPAC2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine
SMILESCC1=C(c2ccccc2C)C2=C(CC(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)C=C2)C1(C)C
InChIInChI=1S/C55H46N2/c1-37-15-11-12-20-47(37)54-38(2)55(3,4)51-36-46(32-33-49(51)54)56(44-28-23-40(24-29-44)39-16-7-5-8-17-39)45-30-25-41(26-31-45)42-27-34-53-50(35-42)48-21-13-14-22-52(48)57(53)43-18-9-6-10-19-43/h5-35,46H,36H2,1-4H3
InChIKeyJBOJFDMVYKNXMF-UHFFFAOYSA-N
MW734.99 g/mol
LogP14.70
Rot. Bonds7

About 2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine

2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine (PubChem CID 144856777) has the molecular formula C55H46N2 and a molecular weight of 734.99 g/mol. Its IUPAC name is 2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine
PubChem CID144856777
Molecular FormulaC55H46N2
Molecular Weight734.99 g/mol
Exact Mass734.37
IUPAC Name2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine
SMILESCC1=C(c2ccccc2C)C2=C(CC(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)C=C2)C1(C)C
InChIInChI=1S/C55H46N2/c1-37-15-11-12-20-47(37)54-38(2)55(3,4)51-36-46(32-33-49(51)54)56(44-28-23-40(24-29-44)39-16-7-5-8-17-39)45-30-25-41(26-31-45)42-27-34-53-50(35-42)48-21-13-14-22-52(48)57(53)43-18-9-6-10-19-43/h5-35,46H,36H2,1-4H3
InChIKeyJBOJFDMVYKNXMF-UHFFFAOYSA-N
XLogP14.70
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.99
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine
CID 163634944
N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine
CID 163600891
3-(4-methyl-3-phenylphenyl)-9-phenylcarbazole
CID 123587918
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole
CID 160608277
7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 146211458
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 129228869
4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-N-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 163772307
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine?
The IUPAC name of 2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine (CID 144856777) is 2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine.
What is the SMILES notation for 2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine?
The canonical SMILES for 2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine is CC1=C(c2ccccc2C)C2=C(CC(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)C=C2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine?
The InChIKey is JBOJFDMVYKNXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N2/c1-37-15-11-12-20-47(37)54-38(2)55(3,4)51-36-46(32-33-49(51)54)56(44-28-23-40(24-29-44)39-16-7-5-8-17-39)45-30-25-41(26-31-45)42-27-34-53-50(35-42)48-21-13-14-22-52(48)57(53)43-18-9-6-10-19-43/h5-35,46H,36H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine?
2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine has a molecular weight of 734.99 g/mol, XLogP of 14.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine is sourced from PubChem (CID 144856777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).