7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine

C42H31N3 — CID 88906000

IUPAC7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3ccccc3-c3ccc4c(c3)c3c(n4-c4ccccc4)CCC=C3)cnc21
InChIInChI=1S/C42H31N3/c1-26-16-19-33-35(22-26)36-23-27(2)17-20-34(36)42-41(33)43-25-38(44-42)31-13-7-6-12-30(31)28-18-21-40-37(24-28)32-14-8-9-15-39(32)45(40)29-10-4-3-5-11-29/h3-8,10-14,16-25H,9,15H2,1-2H3
InChIKeyZRXUGQKGFBYMRF-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.79
Rot. Bonds3

About 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine

7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 88906000) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID88906000
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC Name7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3ccccc3-c3ccc4c(c3)c3c(n4-c4ccccc4)CCC=C3)cnc21
InChIInChI=1S/C42H31N3/c1-26-16-19-33-35(22-26)36-23-27(2)17-20-34(36)42-41(33)43-25-38(44-42)31-13-7-6-12-30(31)28-18-21-40-37(24-28)32-14-8-9-15-39(32)45(40)29-10-4-3-5-11-29/h3-8,10-14,16-25H,9,15H2,1-2H3
InChIKeyZRXUGQKGFBYMRF-UHFFFAOYSA-N
XLogP10.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

3-[2-(9-tert-butyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88905726
3-[3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88905728
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410265
3-[7-[2-(1,2-dihydrocarbazol-9-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129075934
7-ethyl-5-methyl-2-[4-[2-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 70908733
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
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
4-ethyl-2-[4-[2-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 70908849
3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410384
7-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 153329342
6-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenyl-1,2-dihydrocarbazole
CID 67678813

Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 88906000) is 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine is Cc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3ccccc3-c3ccc4c(c3)c3c(n4-c4ccccc4)CCC=C3)cnc21.
What is the InChIKey of 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is ZRXUGQKGFBYMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-26-16-19-33-35(22-26)36-23-27(2)17-20-34(36)42-41(33)43-25-38(44-42)31-13-7-6-12-30(31)28-18-21-40-37(24-28)32-14-8-9-15-39(32)45(40)29-10-4-3-5-11-29/h3-8,10-14,16-25H,9,15H2,1-2H3.
What are the key properties of 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 577.73 g/mol, XLogP of 10.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88906000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).