10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine

C44H33N3 — CID 88858541

IUPAC10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C44H33N3/c1-44(2,3)32-19-22-41-39(27-32)38-26-31(18-21-40(38)47(41)33-9-5-4-6-10-33)29-15-13-28(14-16-29)30-17-20-36-37(25-30)34-11-7-8-12-35(34)42-43(36)46-24-23-45-42/h4-27H,1-3H3
InChIKeyLRZCISKFGOUKDJ-UHFFFAOYSA-N
MW603.77 g/mol
LogP11.66
Rot. Bonds3

About 10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine

10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 88858541) has the molecular formula C44H33N3 and a molecular weight of 603.77 g/mol. Its IUPAC name is 10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID88858541
Molecular FormulaC44H33N3
Molecular Weight603.77 g/mol
Exact Mass603.27
IUPAC Name10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C44H33N3/c1-44(2,3)32-19-22-41-39(27-32)38-26-31(18-21-40(38)47(41)33-9-5-4-6-10-33)29-15-13-28(14-16-29)30-17-20-36-37(25-30)34-11-7-8-12-35(34)42-43(36)46-24-23-45-42/h4-27H,1-3H3
InChIKeyLRZCISKFGOUKDJ-UHFFFAOYSA-N
XLogP11.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 511.66
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

10-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063815
6-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063849
10-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858517
10-[4-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064133
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520
3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858561
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
6-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063833
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786

Frequently Asked Questions

What is the IUPAC name of 10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 88858541) is 10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine is CC(C)(C)c1ccc2c(c1)c1cc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is LRZCISKFGOUKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3/c1-44(2,3)32-19-22-41-39(27-32)38-26-31(18-21-40(38)47(41)33-9-5-4-6-10-33)29-15-13-28(14-16-29)30-17-20-36-37(25-30)34-11-7-8-12-35(34)42-43(36)46-24-23-45-42/h4-27H,1-3H3.
What are the key properties of 10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 603.77 g/mol, XLogP of 11.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88858541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).