9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole

C41H30N2O2 — CID 118860955

IUPAC9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole
SMILESC1=CNCC(c2ccc3c(c2)Oc2ccccc2-c2ccccc2Oc2cc(-n4c5c(c6ccccc64)C=CCC5)ccc2-3)=C1
InChIInChI=1S/C41H30N2O2/c1-5-15-36-30(11-1)31-12-2-6-16-37(31)43(36)29-20-22-35-34-21-19-27(28-10-9-23-42-26-28)24-40(34)44-38-17-7-3-13-32(38)33-14-4-8-18-39(33)45-41(35)25-29/h1-5,7-15,17-25,42H,6,16,26H2
InChIKeyRCZIRWDHIBHWGL-UHFFFAOYSA-N
MW582.70 g/mol
LogP10.32
Rot. Bonds2

About 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole

9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole (PubChem CID 118860955) has the molecular formula C41H30N2O2 and a molecular weight of 582.70 g/mol. Its IUPAC name is 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole
PubChem CID118860955
Molecular FormulaC41H30N2O2
Molecular Weight582.70 g/mol
Exact Mass582.23
IUPAC Name9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole
SMILESC1=CNCC(c2ccc3c(c2)Oc2ccccc2-c2ccccc2Oc2cc(-n4c5c(c6ccccc64)C=CCC5)ccc2-3)=C1
InChIInChI=1S/C41H30N2O2/c1-5-15-36-30(11-1)31-12-2-6-16-37(31)43(36)29-20-22-35-34-21-19-27(28-10-9-23-42-26-28)24-40(34)44-38-17-7-3-13-32(38)33-14-4-8-18-39(33)45-41(35)25-29/h1-5,7-15,17-25,42H,6,16,26H2
InChIKeyRCZIRWDHIBHWGL-UHFFFAOYSA-N
XLogP10.32
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.70
LogP ≤ 510.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole with MolForge

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Related Compounds

9-[24-(2-pyridin-3-yl-4-pyridinyl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydropyrido[3,4-b]indole
CID 118860733
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 166571246
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281

Frequently Asked Questions

What is the IUPAC name of 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole (CID 118860955) is 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole is C1=CNCC(c2ccc3c(c2)Oc2ccccc2-c2ccccc2Oc2cc(-n4c5c(c6ccccc64)C=CCC5)ccc2-3)=C1.
What is the InChIKey of 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole?
The InChIKey is RCZIRWDHIBHWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2O2/c1-5-15-36-30(11-1)31-12-2-6-16-37(31)43(36)29-20-22-35-34-21-19-27(28-10-9-23-42-26-28)24-40(34)44-38-17-7-3-13-32(38)33-14-4-8-18-39(33)45-41(35)25-29/h1-5,7-15,17-25,42H,6,16,26H2.
What are the key properties of 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole?
9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole has a molecular weight of 582.70 g/mol, XLogP of 10.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[24-(1,2-dihydropyridin-3-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 118860955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).