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

C38H29N3 — CID 88858561

IUPAC10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCC(C)(C)n1c2ccccc2c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3)ccc21
InChIInChI=1S/C38H29N3/c1-38(2,3)41-34-11-7-6-9-29(34)33-23-27(17-19-35(33)41)25-14-12-24(13-15-25)26-16-18-31-32(22-26)28-8-4-5-10-30(28)36-37(31)40-21-20-39-36/h4-23H,1-3H3
InChIKeyRCSZXCLQMQAWAE-UHFFFAOYSA-N
MW527.67 g/mol
LogP10.13
Rot. Bonds2

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

10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 88858561) has the molecular formula C38H29N3 and a molecular weight of 527.67 g/mol. Its IUPAC name is 10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID88858561
Molecular FormulaC38H29N3
Molecular Weight527.67 g/mol
Exact Mass527.24
IUPAC Name10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCC(C)(C)n1c2ccccc2c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3)ccc21
InChIInChI=1S/C38H29N3/c1-38(2,3)41-34-11-7-6-9-29(34)33-23-27(17-19-35(33)41)25-14-12-24(13-15-25)26-16-18-31-32(22-26)28-8-4-5-10-30(28)36-37(31)40-21-20-39-36/h4-23H,1-3H3
InChIKeyRCSZXCLQMQAWAE-UHFFFAOYSA-N
XLogP10.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 510.13
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
10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858541
6-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063849
7,10-diphenylphenanthro[9,10-b]pyrazine;ethane
CID 143925438
9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161436375
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520
6-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063833
10-[4-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064133
10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063786
10-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858517
10-[3-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063859
10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine
CID 135127404

Frequently Asked Questions

What is the IUPAC name of 10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 88858561) is 10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine is CC(C)(C)n1c2ccccc2c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3)ccc21.
What is the InChIKey of 10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is RCSZXCLQMQAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3/c1-38(2,3)41-34-11-7-6-9-29(34)33-23-27(17-19-35(33)41)25-14-12-24(13-15-25)26-16-18-31-32(22-26)28-8-4-5-10-30(28)36-37(31)40-21-20-39-36/h4-23H,1-3H3.
What are the key properties of 10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 527.67 g/mol, XLogP of 10.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88858561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).