3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole

C47H35N — CID 146334160

IUPAC3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole
SMILESCC1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2C2=C(C=CCC2)C1c1ccc2ccccc2c1
InChIInChI=1S/C47H35N/c1-30-37-25-23-34(28-42(37)39-16-6-7-18-41(39)47(30)36-22-21-31-11-2-3-13-33(31)27-36)35-24-26-46-43(29-35)40-17-8-9-19-45(40)48(46)44-20-10-14-32-12-4-5-15-38(32)44/h2-5,7-15,17-30,47H,6,16H2,1H3
InChIKeyVNXWWVGJRGYOIZ-UHFFFAOYSA-N
MW613.80 g/mol
LogP12.76
Rot. Bonds3

About 3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole

3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole (PubChem CID 146334160) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole
PubChem CID146334160
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole
SMILESCC1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2C2=C(C=CCC2)C1c1ccc2ccccc2c1
InChIInChI=1S/C47H35N/c1-30-37-25-23-34(28-42(37)39-16-6-7-18-41(39)47(30)36-22-21-31-11-2-3-13-33(31)27-36)35-24-26-46-43(29-35)40-17-8-9-19-45(40)48(46)44-20-10-14-32-12-4-5-15-38(32)44/h2-5,7-15,17-30,47H,6,16H2,1H3
InChIKeyVNXWWVGJRGYOIZ-UHFFFAOYSA-N
XLogP12.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
9-naphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-phenanthren-9-ylphenyl)carbazole
CID 160833485
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;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 159472470
9-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)carbazole;9-naphthalen-1-yl-3-(3-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 158894954
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
7-naphthalen-1-yl-3-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351193
3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 162264966
7-methyl-10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazole
CID 138662750
9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole
CID 89139288

Frequently Asked Questions

What is the IUPAC name of 3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole (CID 146334160) is 3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole is CC1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2C2=C(C=CCC2)C1c1ccc2ccccc2c1.
What is the InChIKey of 3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole?
The InChIKey is VNXWWVGJRGYOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-30-37-25-23-34(28-42(37)39-16-6-7-18-41(39)47(30)36-22-21-31-11-2-3-13-33(31)27-36)35-24-26-46-43(29-35)40-17-8-9-19-45(40)48(46)44-20-10-14-32-12-4-5-15-38(32)44/h2-5,7-15,17-30,47H,6,16H2,1H3.
What are the key properties of 3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole?
3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole has a molecular weight of 613.80 g/mol, XLogP of 12.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-methyl-9-naphthalen-2-yl-5,6,9,10-tetrahydrophenanthren-3-yl)-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 146334160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).