3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole

C48H32N2 — CID 139540581

IUPAC3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
SMILESC1=Cc2c(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccccc23)CC1
InChIInChI=1S/C48H32N2/c1-2-12-33(13-3-1)49-45-20-10-9-19-41(45)44-30-34(24-27-48(44)49)50-46-21-11-8-18-40(46)43-29-32(23-26-47(43)50)31-22-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)28-31/h1-4,6-15,17-30H,5,16H2
InChIKeySBTALRRHVDKELG-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.81
Rot. Bonds3

About 3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole

3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 139540581) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
PubChem CID139540581
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
SMILESC1=Cc2c(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccccc23)CC1
InChIInChI=1S/C48H32N2/c1-2-12-33(13-3-1)49-45-20-10-9-19-41(45)44-30-34(24-27-48(44)49)50-46-21-11-8-18-40(46)43-29-32(23-26-47(43)50)31-22-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)28-31/h1-4,6-15,17-30H,5,16H2
InChIKeySBTALRRHVDKELG-UHFFFAOYSA-N
XLogP12.81
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053
9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 166969507
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole (CID 139540581) is 3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole is C1=Cc2c(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccccc23)CC1.
What is the InChIKey of 3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is SBTALRRHVDKELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-2-12-33(13-3-1)49-45-20-10-9-19-41(45)44-30-34(24-27-48(44)49)50-46-21-11-8-18-40(46)43-29-32(23-26-47(43)50)31-22-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)28-31/h1-4,6-15,17-30H,5,16H2.
What are the key properties of 3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole?
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 636.80 g/mol, XLogP of 12.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 139540581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).