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

C122H79N3 — CID 158894954

IUPAC9-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
SMILESc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)ccc43)cccc2c1
InChIInChI=1S/C46H29N.2C38H25N/c1-2-12-35-32(10-1)11-9-19-44(35)47-45-18-8-7-17-41(45)43-29-34(25-27-46(43)47)31-22-20-30(21-23-31)33-24-26-40-38-15-4-3-13-36(38)37-14-5-6-16-39(37)42(40)28-33;1-3-16-31-26(10-1)12-8-19-32(31)30-15-7-14-28(24-30)29-22-23-38-35(25-29)34-18-5-6-20-37(34)39(38)36-21-9-13-27-11-2-4-17-33(27)36;1-2-11-28-23-31(20-19-26(28)9-1)29-13-7-14-30(24-29)32-21-22-38-35(25-32)34-16-5-6-17-37(34)39(38)36-18-8-12-27-10-3-4-15-33(27)36/h1-29H;2*1-25H
InChIKeyJESIKGYGQQNRLR-UHFFFAOYSA-N
MW1586.99 g/mol
LogP33.58
Rot. Bonds9

About 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

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 (PubChem CID 158894954) has the molecular formula C122H79N3 and a molecular weight of 1586.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID158894954
Molecular FormulaC122H79N3
Molecular Weight1586.99 g/mol
Exact Mass1585.63
IUPAC Name9-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
SMILESc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)ccc43)cccc2c1
InChIInChI=1S/C46H29N.2C38H25N/c1-2-12-35-32(10-1)11-9-19-44(35)47-45-18-8-7-17-41(45)43-29-34(25-27-46(43)47)31-22-20-30(21-23-31)33-24-26-40-38-15-4-3-13-36(38)37-14-5-6-16-39(37)42(40)28-33;1-3-16-31-26(10-1)12-8-19-32(31)30-15-7-14-28(24-30)29-22-23-38-35(25-29)34-18-5-6-20-37(34)39(38)36-21-9-13-27-11-2-4-17-33(27)36;1-2-11-28-23-31(20-19-26(28)9-1)29-13-7-14-30(24-29)32-21-22-38-35(25-32)34-16-5-6-17-37(34)39(38)36-18-8-12-27-10-3-4-15-33(27)36/h1-29H;2*1-25H
InChIKeyJESIKGYGQQNRLR-UHFFFAOYSA-N
XLogP33.58
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001586.99
LogP ≤ 533.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 159219862
9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole
CID 159394605
9-naphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-phenanthren-9-ylphenyl)carbazole
CID 160833485
2,7-dinaphthalen-1-ylbenzo[c]carbazole
CID 130351339
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635
3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole
CID 88569900
2-[9-[2-(3-naphthalen-2-ylphenyl)phenyl]carbazol-2-yl]-9-(2-phenylphenyl)carbazole
CID 142315112
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
2-[9-[2-(3-naphthalen-2-ylphenyl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 142314944
3-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 164991388
6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420798

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)ccc43)cccc2c1.
What is the InChIKey of 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?
The InChIKey is JESIKGYGQQNRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N.2C38H25N/c1-2-12-35-32(10-1)11-9-19-44(35)47-45-18-8-7-17-41(45)43-29-34(25-27-46(43)47)31-22-20-30(21-23-31)33-24-26-40-38-15-4-3-13-36(38)37-14-5-6-16-39(37)42(40)28-33;1-3-16-31-26(10-1)12-8-19-32(31)30-15-7-14-28(24-30)29-22-23-38-35(25-29)34-18-5-6-20-37(34)39(38)36-21-9-13-27-11-2-4-17-33(27)36;1-2-11-28-23-31(20-19-26(28)9-1)29-13-7-14-30(24-29)32-21-22-38-35(25-32)34-16-5-6-17-37(34)39(38)36-18-8-12-27-10-3-4-15-33(27)36/h1-29H;2*1-25H.
What are the key properties of 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?
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 has a molecular weight of 1586.99 g/mol, XLogP of 33.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158894954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).