3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole

C50H40N2 — CID 102196206

IUPAC3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole
SMILESc1ccc2c(-c3ccc4c(c3)c3ccccc3n4CCCCCCn3c4ccccc4c4cc(-c5cccc6ccccc56)ccc43)cccc2c1
InChIInChI=1S/C50H40N2/c1(11-31-51-47-25-9-7-21-43(47)45-33-37(27-29-49(45)51)41-23-13-17-35-15-3-5-19-39(35)41)2-12-32-52-48-26-10-8-22-44(48)46-34-38(28-30-50(46)52)42-24-14-18-36-16-4-6-20-40(36)42/h3-10,13-30,33-34H,1-2,11-12,31-32H2
InChIKeyLJYBHYJKRJCFBZ-UHFFFAOYSA-N
MW668.88 g/mol
LogP13.80
Rot. Bonds9

About 3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole

3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole (PubChem CID 102196206) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is 3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole.

Molecular Properties

Compound Name3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole
PubChem CID102196206
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC Name3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole
SMILESc1ccc2c(-c3ccc4c(c3)c3ccccc3n4CCCCCCn3c4ccccc4c4cc(-c5cccc6ccccc56)ccc43)cccc2c1
InChIInChI=1S/C50H40N2/c1(11-31-51-47-25-9-7-21-43(47)45-33-37(27-29-49(45)51)41-23-13-17-35-15-3-5-19-39(35)41)2-12-32-52-48-26-10-8-22-44(48)46-34-38(28-30-50(46)52)42-24-14-18-36-16-4-6-20-40(36)42/h3-10,13-30,33-34H,1-2,11-12,31-32H2
InChIKeyLJYBHYJKRJCFBZ-UHFFFAOYSA-N
XLogP13.80
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
CID 138622571
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole
CID 69197277
3-[5,8-dibromo-3-(9-hexylcarbazol-3-yl)quinoxalin-2-yl]-9-hexylcarbazole
CID 132603981
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
9-octyl-3-[5-(9-octylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 122216627
9-octyl-3-[5-[5-[5-(9-octylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole
CID 134391330
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole?
The IUPAC name of 3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole (CID 102196206) is 3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole.
What is the SMILES notation for 3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole?
The canonical SMILES for 3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole is c1ccc2c(-c3ccc4c(c3)c3ccccc3n4CCCCCCn3c4ccccc4c4cc(-c5cccc6ccccc56)ccc43)cccc2c1.
What is the InChIKey of 3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole?
The InChIKey is LJYBHYJKRJCFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1(11-31-51-47-25-9-7-21-43(47)45-33-37(27-29-49(45)51)41-23-13-17-35-15-3-5-19-39(35)41)2-12-32-52-48-26-10-8-22-44(48)46-34-38(28-30-50(46)52)42-24-14-18-36-16-4-6-20-40(36)42/h3-10,13-30,33-34H,1-2,11-12,31-32H2.
What are the key properties of 3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole?
3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole has a molecular weight of 668.88 g/mol, XLogP of 13.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole is sourced from PubChem (CID 102196206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).