3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine

C55H41N3 — CID 129075896

IUPAC3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine
SMILESCC1C=Cc2c(c3nc(-c4cccc(C5CC=Cc6c(-c7ccc(-n8c9ccccc9c9ccccc98)c8c7CCC=C8)cccc65)c4)cnc3c3ccccc23)C1
InChIInChI=1S/C55H41N3/c1-34-27-28-44-42-16-3-5-20-48(42)54-55(49(44)31-34)57-50(33-56-54)36-14-10-13-35(32-36)37-21-11-23-39-38(37)22-12-24-40(39)43-29-30-53(45-17-4-2-15-41(43)45)58-51-25-8-6-18-46(51)47-19-7-9-26-52(47)58/h3-14,16-20,22-30,32-34,37H,2,15,21,31H2,1H3
InChIKeyWADSAQXUJMJCJE-UHFFFAOYSA-N
MW743.95 g/mol
LogP13.93
Rot. Bonds4

About 3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine

3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine (PubChem CID 129075896) has the molecular formula C55H41N3 and a molecular weight of 743.95 g/mol. Its IUPAC name is 3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine
PubChem CID129075896
Molecular FormulaC55H41N3
Molecular Weight743.95 g/mol
Exact Mass743.33
IUPAC Name3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine
SMILESCC1C=Cc2c(c3nc(-c4cccc(C5CC=Cc6c(-c7ccc(-n8c9ccccc9c9ccccc98)c8c7CCC=C8)cccc65)c4)cnc3c3ccccc23)C1
InChIInChI=1S/C55H41N3/c1-34-27-28-44-42-16-3-5-20-48(42)54-55(49(44)31-34)57-50(33-56-54)36-14-10-13-35(32-36)37-21-11-23-39-38(37)22-12-24-40(39)43-29-30-53(45-17-4-2-15-41(43)45)58-51-25-8-6-18-46(51)47-19-7-9-26-52(47)58/h3-14,16-20,22-30,32-34,37H,2,15,21,31H2,1H3
InChIKeyWADSAQXUJMJCJE-UHFFFAOYSA-N
XLogP13.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 513.93
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-[7-[2-(1,2-dihydrocarbazol-9-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129075934
3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)carbazol-9-yl]phenyl]-9,10-dihydrophenanthro[9,10-b]pyrazine
CID 163802532
3-[3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88905728
3-[3-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063802
3-[3-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063643
9-[3-(1,2-dihydrocarbazol-9-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2-methyl-1,2-dihydrocarbazole
CID 146321185
3-[3-[6-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydronaphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075841
15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene
CID 145280857
9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole
CID 129305644
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413
3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063733
3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(3-methylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 161064637

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine (CID 129075896) is 3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine is CC1C=Cc2c(c3nc(-c4cccc(C5CC=Cc6c(-c7ccc(-n8c9ccccc9c9ccccc98)c8c7CCC=C8)cccc65)c4)cnc3c3ccccc23)C1.
What is the InChIKey of 3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine?
The InChIKey is WADSAQXUJMJCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N3/c1-34-27-28-44-42-16-3-5-20-48(42)54-55(49(44)31-34)57-50(33-56-54)36-14-10-13-35(32-36)37-21-11-23-39-38(37)22-12-24-40(39)43-29-30-53(45-17-4-2-15-41(43)45)58-51-25-8-6-18-46(51)47-19-7-9-26-52(47)58/h3-14,16-20,22-30,32-34,37H,2,15,21,31H2,1H3.
What are the key properties of 3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine?
3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine has a molecular weight of 743.95 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129075896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).