3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole

C48H34N2 — CID 142505029

IUPAC3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(C4=CCC5C(=C4)c4ccccc4N5c4ccc5c6ccccc6c6ccccc6c5c4)cc23)CC1
InChIInChI=1S/C48H34N2/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/h1-9,11-19,21-26,28-30,48H,10,20,27H2
InChIKeyZTQVATMRQHGAIK-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.44
Rot. Bonds3

About 3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole

3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole (PubChem CID 142505029) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole.

Molecular Properties

Compound Name3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole
PubChem CID142505029
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(C4=CCC5C(=C4)c4ccccc4N5c4ccc5c6ccccc6c6ccccc6c5c4)cc23)CC1
InChIInChI=1S/C48H34N2/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/h1-9,11-19,21-26,28-30,48H,10,20,27H2
InChIKeyZTQVATMRQHGAIK-UHFFFAOYSA-N
XLogP12.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.44
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

9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 134407184
9-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-3-(9-naphthalen-1-yl-1,9a-dihydrocarbazol-3-yl)carbazole
CID 170143175
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole
CID 144976799
9-(4a,8,9,9b-tetrahydrodibenzofuran-1-yl)-3-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 169037185
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole
CID 144661384
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
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
6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole?
The IUPAC name of 3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole (CID 142505029) is 3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole.
What is the SMILES notation for 3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole?
The canonical SMILES for 3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole is C1=Cc2c(n(-c3ccccc3)c3ccc(C4=CCC5C(=C4)c4ccccc4N5c4ccc5c6ccccc6c6ccccc6c5c4)cc23)CC1.
What is the InChIKey of 3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole?
The InChIKey is ZTQVATMRQHGAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/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/h1-9,11-19,21-26,28-30,48H,10,20,27H2.
What are the key properties of 3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole?
3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole has a molecular weight of 638.81 g/mol, XLogP of 12.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole is sourced from PubChem (CID 142505029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).