3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole

C45H35N — CID 131969747

IUPAC3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
SMILESCc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4ccc5c6c(c7ccccc7c5c4)CC(C)C=C6)ccc32)ccc1C
InChIInChI=1S/C45H35N/c1-28-16-21-37-38-22-18-31(25-42(38)36-13-7-6-12-35(36)41(37)24-28)32-19-23-45-43(26-32)39-14-8-9-15-44(39)46(45)33-20-17-30(3)40(27-33)34-11-5-4-10-29(34)2/h4-23,25-28H,24H2,1-3H3
InChIKeyUNBMOGSKYHXPRY-UHFFFAOYSA-N
MW589.78 g/mol
LogP12.25
Rot. Bonds3

About 3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole

3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole (PubChem CID 131969747) has the molecular formula C45H35N and a molecular weight of 589.78 g/mol. Its IUPAC name is 3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
PubChem CID131969747
Molecular FormulaC45H35N
Molecular Weight589.78 g/mol
Exact Mass589.28
IUPAC Name3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
SMILESCc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4ccc5c6c(c7ccccc7c5c4)CC(C)C=C6)ccc32)ccc1C
InChIInChI=1S/C45H35N/c1-28-16-21-37-38-22-18-31(25-42(38)36-13-7-6-12-35(36)41(37)24-28)32-19-23-45-43(26-32)39-14-8-9-15-44(39)46(45)33-20-17-30(3)40(27-33)34-11-5-4-10-29(34)2/h4-23,25-28H,24H2,1-3H3
InChIKeyUNBMOGSKYHXPRY-UHFFFAOYSA-N
XLogP12.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.78
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 166969507
9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
CID 144907309
2-methyl-1,2-dihydrotriphenylene
CID 145204096
9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
CID 70879569
3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053
2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole
CID 163890697
N-[4-(7-methyl-7,8-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 143813883
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?
The IUPAC name of 3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole (CID 131969747) is 3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?
The canonical SMILES for 3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole is Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4ccc5c6c(c7ccccc7c5c4)CC(C)C=C6)ccc32)ccc1C.
What is the InChIKey of 3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?
The InChIKey is UNBMOGSKYHXPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N/c1-28-16-21-37-38-22-18-31(25-42(38)36-13-7-6-12-35(36)41(37)24-28)32-19-23-45-43(26-32)39-14-8-9-15-44(39)46(45)33-20-17-30(3)40(27-33)34-11-5-4-10-29(34)2/h4-23,25-28H,24H2,1-3H3.
What are the key properties of 3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?
3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole has a molecular weight of 589.78 g/mol, XLogP of 12.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole is sourced from PubChem (CID 131969747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).