11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene

C43H26N4 — CID 118330824

IUPAC11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
SMILESc1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cc4c(cc32)cc2c3ccccc3c3ccccc3n42)c1
InChIInChI=1S/C43H26N4/c1-2-14-30-28(12-1)29-13-3-7-18-35(29)45-39-26-34-33-17-6-10-21-38(33)47(41(34)25-27(39)24-40(30)45)43-23-11-22-42(44-43)46-36-19-8-4-15-31(36)32-16-5-9-20-37(32)46/h1-26H
InChIKeyDOIDFTFUIPIGQT-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.99
Rot. Bonds2

About 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene

11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene (PubChem CID 118330824) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
PubChem CID118330824
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
SMILESc1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cc4c(cc32)cc2c3ccccc3c3ccccc3n42)c1
InChIInChI=1S/C43H26N4/c1-2-14-30-28(12-1)29-13-3-7-18-35(29)45-39-26-34-33-17-6-10-21-38(33)47(41(34)25-27(39)24-40(30)45)43-23-11-22-42(44-43)46-36-19-8-4-15-31(36)32-16-5-9-20-37(32)46/h1-26H
InChIKeyDOIDFTFUIPIGQT-UHFFFAOYSA-N
XLogP10.99
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

11-(6-phenyl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330790
20-(6-phenyl-2-pyridinyl)-2,20-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432111
5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
11-(4,6-diphenyl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330805
26-(6-phenyl-2-pyridinyl)-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432826
11-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330867
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361
9-carbazol-9-yl-5-(3-methylphenyl)-1,5-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2,4(12),6(11),7,9,13,15,17,19,21,23,25,27-tridecaene
CID 144906726
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053

Frequently Asked Questions

What is the IUPAC name of 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene?
The IUPAC name of 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene (CID 118330824) is 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene.
What is the SMILES notation for 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene?
The canonical SMILES for 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene is c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cc4c(cc32)cc2c3ccccc3c3ccccc3n42)c1.
What is the InChIKey of 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene?
The InChIKey is DOIDFTFUIPIGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c1-2-14-30-28(12-1)29-13-3-7-18-35(29)45-39-26-34-33-17-6-10-21-38(33)47(41(34)25-27(39)24-40(30)45)43-23-11-22-42(44-43)46-36-19-8-4-15-31(36)32-16-5-9-20-37(32)46/h1-26H.
What are the key properties of 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene?
11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene has a molecular weight of 598.71 g/mol, XLogP of 10.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 118330824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).