25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene

C42H25N5 — CID 90432580

IUPAC25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
SMILESc1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3c4c5ccccc5n5c6ccccc6nc5c4ccc32)c1
InChIInChI=1S/C42H25N5/c1-6-17-32-26(12-1)27-13-2-7-18-33(27)45(32)38-22-11-23-39(44-38)46-34-19-8-4-15-29(34)41-37(46)25-24-30-40(41)28-14-3-9-20-35(28)47-36-21-10-5-16-31(36)43-42(30)47/h1-25H
InChIKeyFMBTYOHEBYTDIB-UHFFFAOYSA-N
MW599.70 g/mol
LogP10.38
Rot. Bonds2

About 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene

25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene (PubChem CID 90432580) has the molecular formula C42H25N5 and a molecular weight of 599.70 g/mol. Its IUPAC name is 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene.

Molecular Properties

Compound Name25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
PubChem CID90432580
Molecular FormulaC42H25N5
Molecular Weight599.70 g/mol
Exact Mass599.21
IUPAC Name25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
SMILESc1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3c4c5ccccc5n5c6ccccc6nc5c4ccc32)c1
InChIInChI=1S/C42H25N5/c1-6-17-32-26(12-1)27-13-2-7-18-33(27)45(32)38-22-11-23-39(44-38)46-34-19-8-4-15-29(34)41-37(46)25-24-30-40(41)28-14-3-9-20-35(28)47-36-21-10-5-16-31(36)43-42(30)47/h1-25H
InChIKeyFMBTYOHEBYTDIB-UHFFFAOYSA-N
XLogP10.38
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.70
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?
The IUPAC name of 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene (CID 90432580) is 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene.
What is the SMILES notation for 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?
The canonical SMILES for 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene is c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3c4c5ccccc5n5c6ccccc6nc5c4ccc32)c1.
What is the InChIKey of 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?
The InChIKey is FMBTYOHEBYTDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N5/c1-6-17-32-26(12-1)27-13-2-7-18-33(27)45(32)38-22-11-23-39(44-38)46-34-19-8-4-15-29(34)41-37(46)25-24-30-40(41)28-14-3-9-20-35(28)47-36-21-10-5-16-31(36)43-42(30)47/h1-25H.
What are the key properties of 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?
25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene has a molecular weight of 599.70 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(6-carbazol-9-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene is sourced from PubChem (CID 90432580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).