ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole

C46H34N2 — CID 142515451

IUPACethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
SMILESCC.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)ccc2c1
InChIInChI=1S/C44H28N2.C2H6/c1-3-11-31-25-35(21-17-29(31)9-1)45-41-15-7-5-13-37(41)39-27-33(19-23-43(39)45)34-20-24-44-40(28-34)38-14-6-8-16-42(38)46(44)36-22-18-30-10-2-4-12-32(30)26-36;1-2/h1-28H;1-2H3
InChIKeyVNHHQIPNRSWPIA-UHFFFAOYSA-N
MW614.79 g/mol
LogP12.88
Rot. Bonds3

About ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole

ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole (PubChem CID 142515451) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Nameethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
PubChem CID142515451
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC Nameethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
SMILESCC.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)ccc2c1
InChIInChI=1S/C44H28N2.C2H6/c1-3-11-31-25-35(21-17-29(31)9-1)45-41-15-7-5-13-37(41)39-27-33(19-23-43(39)45)34-20-24-44-40(28-34)38-14-6-8-16-42(38)46(44)36-22-18-30-10-2-4-12-32(30)26-36;1-2/h1-28H;1-2H3
InChIKeyVNHHQIPNRSWPIA-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
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
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-[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
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
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
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole
CID 156661500
3-(10-methylanthracen-9-yl)-9-naphthalen-2-ylcarbazole
CID 121339810

Frequently Asked Questions

What is the IUPAC name of ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole?
The IUPAC name of ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole (CID 142515451) is ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole.
What is the SMILES notation for ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole?
The canonical SMILES for ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole is CC.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)ccc2c1.
What is the InChIKey of ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole?
The InChIKey is VNHHQIPNRSWPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2.C2H6/c1-3-11-31-25-35(21-17-29(31)9-1)45-41-15-7-5-13-37(41)39-27-33(19-23-43(39)45)34-20-24-44-40(28-34)38-14-6-8-16-42(38)46(44)36-22-18-30-10-2-4-12-32(30)26-36;1-2/h1-28H;1-2H3.
What are the key properties of ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole?
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole has a molecular weight of 614.79 g/mol, XLogP of 12.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 142515451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).