3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole

C46H29N — CID 177074724

IUPAC3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
SMILESc1ccc2cc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6c5)ccc3n4-c3ccc4c(ccc5ccccc54)c3)ccc2c1
InChIInChI=1S/C46H29N/c1-3-10-33-25-35(16-13-30(33)7-1)37-19-23-45-43(28-37)44-29-38(36-17-14-31-8-2-4-11-34(31)26-36)20-24-46(44)47(45)40-21-22-42-39(27-40)18-15-32-9-5-6-12-41(32)42/h1-29H
InChIKeyOMIMTGUVAZFSJE-UHFFFAOYSA-N
MW595.75 g/mol
LogP12.73
Rot. Bonds3

About 3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole

3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole (PubChem CID 177074724) has the molecular formula C46H29N and a molecular weight of 595.75 g/mol. Its IUPAC name is 3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole.

Molecular Properties

Compound Name3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
PubChem CID177074724
Molecular FormulaC46H29N
Molecular Weight595.75 g/mol
Exact Mass595.23
IUPAC Name3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
SMILESc1ccc2cc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6c5)ccc3n4-c3ccc4c(ccc5ccccc54)c3)ccc2c1
InChIInChI=1S/C46H29N/c1-3-10-33-25-35(16-13-30(33)7-1)37-19-23-45-43(28-37)44-29-38(36-17-14-31-8-2-4-11-34(31)26-36)20-24-46(44)47(45)40-21-22-42-39(27-40)18-15-32-9-5-6-12-41(32)42/h1-29H
InChIKeyOMIMTGUVAZFSJE-UHFFFAOYSA-N
XLogP12.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.75
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506
3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 146368758
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 157051196
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline
CID 162702063
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
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

Frequently Asked Questions

What is the IUPAC name of 3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole?
The IUPAC name of 3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole (CID 177074724) is 3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole.
What is the SMILES notation for 3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole?
The canonical SMILES for 3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole is c1ccc2cc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6c5)ccc3n4-c3ccc4c(ccc5ccccc54)c3)ccc2c1.
What is the InChIKey of 3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole?
The InChIKey is OMIMTGUVAZFSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N/c1-3-10-33-25-35(16-13-30(33)7-1)37-19-23-45-43(28-37)44-29-38(36-17-14-31-8-2-4-11-34(31)26-36)20-24-46(44)47(45)40-21-22-42-39(27-40)18-15-32-9-5-6-12-41(32)42/h1-29H.
What are the key properties of 3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole?
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole has a molecular weight of 595.75 g/mol, XLogP of 12.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole is sourced from PubChem (CID 177074724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).