9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole

C138H84N8 — CID 157453480

IUPAC9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole
SMILESc1ccc(-c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)nc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5ccc6c(-c7ccccn7)ccc7ccc4c5c76)cc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2ccc3c(-c4ccncc4)ccc4ccc1c2c43.c1cncc(-c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)c1
InChIInChI=1S/C39H24N2.3C33H20N2/c1-2-8-28(9-3-1)41-36-12-5-4-10-31(36)32-20-17-27(24-37(32)41)29-18-13-25-16-22-34-30(35-11-6-7-23-40-35)19-14-26-15-21-33(29)38(25)39(26)34;1-3-10-29-24(7-1)25-8-2-4-11-30(25)35(29)31-19-15-22-13-17-26-23(28-9-5-6-20-34-28)16-12-21-14-18-27(31)33(22)32(21)26;1-3-9-29-25(7-1)26-8-2-4-10-30(26)35(29)31-18-14-22-12-16-27-24(23-6-5-19-34-20-23)15-11-21-13-17-28(31)33(22)32(21)27;1-3-7-29-25(5-1)26-6-2-4-8-30(26)35(29)31-16-12-23-10-14-27-24(21-17-19-34-20-18-21)13-9-22-11-15-28(31)33(23)32(22)27/h1-24H;3*1-20H
InChIKeyBTBMBIMTDQHVFO-UHFFFAOYSA-N
MW1854.25 g/mol
LogP36.64
Rot. Bonds9

About 9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole

9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole (PubChem CID 157453480) has the molecular formula C138H84N8 and a molecular weight of 1854.25 g/mol. Its IUPAC name is 9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole
PubChem CID157453480
Molecular FormulaC138H84N8
Molecular Weight1854.25 g/mol
Exact Mass1852.68
IUPAC Name9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole
SMILESc1ccc(-c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)nc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5ccc6c(-c7ccccn7)ccc7ccc4c5c76)cc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2ccc3c(-c4ccncc4)ccc4ccc1c2c43.c1cncc(-c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)c1
InChIInChI=1S/C39H24N2.3C33H20N2/c1-2-8-28(9-3-1)41-36-12-5-4-10-31(36)32-20-17-27(24-37(32)41)29-18-13-25-16-22-34-30(35-11-6-7-23-40-35)19-14-26-15-21-33(29)38(25)39(26)34;1-3-10-29-24(7-1)25-8-2-4-11-30(25)35(29)31-19-15-22-13-17-26-23(28-9-5-6-20-34-28)16-12-21-14-18-27(31)33(22)32(21)26;1-3-9-29-25(7-1)26-8-2-4-10-30(26)35(29)31-18-14-22-12-16-27-24(23-6-5-19-34-20-23)15-11-21-13-17-28(31)33(22)32(21)27;1-3-7-29-25(5-1)26-6-2-4-8-30(26)35(29)31-16-12-23-10-14-27-24(21-17-19-34-20-18-21)13-9-22-11-15-28(31)33(23)32(22)27/h1-24H;3*1-20H
InChIKeyBTBMBIMTDQHVFO-UHFFFAOYSA-N
XLogP36.64
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001854.25
LogP ≤ 536.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 44276754
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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole?
The IUPAC name of 9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole (CID 157453480) is 9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole.
What is the SMILES notation for 9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole?
The canonical SMILES for 9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole is c1ccc(-c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)nc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5ccc6c(-c7ccccn7)ccc7ccc4c5c76)cc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2ccc3c(-c4ccncc4)ccc4ccc1c2c43.c1cncc(-c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)c1.
What is the InChIKey of 9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole?
The InChIKey is BTBMBIMTDQHVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2.3C33H20N2/c1-2-8-28(9-3-1)41-36-12-5-4-10-31(36)32-20-17-27(24-37(32)41)29-18-13-25-16-22-34-30(35-11-6-7-23-40-35)19-14-26-15-21-33(29)38(25)39(26)34;1-3-10-29-24(7-1)25-8-2-4-11-30(25)35(29)31-19-15-22-13-17-26-23(28-9-5-6-20-34-28)16-12-21-14-18-27(31)33(22)32(21)26;1-3-9-29-25(7-1)26-8-2-4-10-30(26)35(29)31-18-14-22-12-16-27-24(23-6-5-19-34-20-23)15-11-21-13-17-28(31)33(22)32(21)27;1-3-7-29-25(5-1)26-6-2-4-8-30(26)35(29)31-16-12-23-10-14-27-24(21-17-19-34-20-18-21)13-9-22-11-15-28(31)33(23)32(22)27/h1-24H;3*1-20H.
What are the key properties of 9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole?
9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole has a molecular weight of 1854.25 g/mol, XLogP of 36.64, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-2-ylpyren-1-yl)carbazole;9-(6-pyridin-3-ylpyren-1-yl)carbazole;9-(6-pyridin-4-ylpyren-1-yl)carbazole is sourced from PubChem (CID 157453480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).