9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole

C48H32N2 — CID 163694127

IUPAC9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
SMILESC1=Cc2c(c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc3n2-c2ccc3c4ccccc4c4ccccc4c3c2)CC1
InChIInChI=1S/C48H32N2/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)42-25-22-32(29-48(42)49)31-23-27-47-44(28-31)41-19-9-11-21-46(41)50(47)34-24-26-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)43(39)30-34/h1-8,10-18,20-30H,9,19H2
InChIKeyJVMADTDAUBMSFY-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.81
Rot. Bonds3

About 9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole

9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole (PubChem CID 163694127) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
PubChem CID163694127
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
SMILESC1=Cc2c(c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc3n2-c2ccc3c4ccccc4c4ccccc4c3c2)CC1
InChIInChI=1S/C48H32N2/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)42-25-22-32(29-48(42)49)31-23-27-47-44(28-31)41-19-9-11-21-46(41)50(47)34-24-26-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)43(39)30-34/h1-8,10-18,20-30H,9,19H2
InChIKeyJVMADTDAUBMSFY-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

9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
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
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole
CID 144650193
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole (CID 163694127) is 9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole is C1=Cc2c(c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc3n2-c2ccc3c4ccccc4c4ccccc4c3c2)CC1.
What is the InChIKey of 9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole?
The InChIKey is JVMADTDAUBMSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)42-25-22-32(29-48(42)49)31-23-27-47-44(28-31)41-19-9-11-21-46(41)50(47)34-24-26-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)43(39)30-34/h1-8,10-18,20-30H,9,19H2.
What are the key properties of 9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole?
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-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 9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 163694127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).