3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole

C48H32N2 — CID 146258565

IUPAC3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESC1=Cc2c(c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3c3ccccc23)CC1
InChIInChI=1S/C48H32N2/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)43-28-31(22-26-47(43)49)32-23-27-48-44(29-32)41-19-9-11-21-46(41)50(48)34-24-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)30-34/h1-4,6-15,17-30H,5,16H2
InChIKeySXIUDPYUMZLHSK-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.81
Rot. Bonds3

About 3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 146258565) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID146258565
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESC1=Cc2c(c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3c3ccccc23)CC1
InChIInChI=1S/C48H32N2/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)43-28-31(22-26-47(43)49)32-23-27-48-44(29-32)41-19-9-11-21-46(41)50(48)34-24-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)30-34/h1-4,6-15,17-30H,5,16H2
InChIKeySXIUDPYUMZLHSK-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-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
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-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 146258565) is 3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole is C1=Cc2c(c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3c3ccccc23)CC1.
What is the InChIKey of 3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is SXIUDPYUMZLHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)43-28-31(22-26-47(43)49)32-23-27-48-44(29-32)41-19-9-11-21-46(41)50(48)34-24-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)30-34/h1-4,6-15,17-30H,5,16H2.
What are the key properties of 3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole 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-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 146258565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).