3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

C48H36N2 — CID 170132546

IUPAC3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
SMILESCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc2ccccc12
InChIInChI=1S/C48H36N2/c1-2-3-12-36-28-39(29-37-15-6-7-16-40(36)37)50-46-20-11-9-18-42(46)44-31-35(23-26-48(44)50)34-22-25-47-43(30-34)41-17-8-10-19-45(41)49(47)38-24-21-32-13-4-5-14-33(32)27-38/h4-11,13-31H,2-3,12H2,1H3
InChIKeyBOVYBPODXZOCNB-UHFFFAOYSA-N
MW640.83 g/mol
LogP13.20
Rot. Bonds6

About 3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 170132546) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
PubChem CID170132546
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
SMILESCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc2ccccc12
InChIInChI=1S/C48H36N2/c1-2-3-12-36-28-39(29-37-15-6-7-16-40(36)37)50-46-20-11-9-18-42(46)44-31-35(23-26-48(44)50)34-22-25-47-43(30-34)41-17-8-10-19-45(41)49(47)38-24-21-32-13-4-5-14-33(32)27-38/h4-11,13-31H,2-3,12H2,1H3
InChIKeyBOVYBPODXZOCNB-UHFFFAOYSA-N
XLogP13.20
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 146368758
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
The IUPAC name of 3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole (CID 170132546) is 3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole is CCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc2ccccc12.
What is the InChIKey of 3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
The InChIKey is BOVYBPODXZOCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-2-3-12-36-28-39(29-37-15-6-7-16-40(36)37)50-46-20-11-9-18-42(46)44-31-35(23-26-48(44)50)34-22-25-47-43(30-34)41-17-8-10-19-45(41)49(47)38-24-21-32-13-4-5-14-33(32)27-38/h4-11,13-31H,2-3,12H2,1H3.
What are the key properties of 3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole has a molecular weight of 640.83 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-butylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 170132546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).