14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene

C53H37NO — CID 129305352

IUPAC14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
SMILESC1=CCCC(C2(C3=CCCC=C3)c3cc4ccccc4cc3-c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c32)=C1
InChIInChI=1S/C53H37NO/c1-3-18-37(19-4-1)53(38-20-5-2-6-21-38)46-30-29-43-41-23-9-11-27-48(41)54(51(43)50(46)45-32-34-15-7-8-16-35(34)33-47(45)53)39-22-13-17-36(31-39)40-25-14-26-44-42-24-10-12-28-49(42)55-52(40)44/h1,3,5,7-18,20-33H,2,4,6,19H2
InChIKeyRNKATDDBPPKEMU-UHFFFAOYSA-N
MW703.89 g/mol
LogP14.32
Rot. Bonds4

About 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene

14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene (PubChem CID 129305352) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
PubChem CID129305352
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC Name14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
SMILESC1=CCCC(C2(C3=CCCC=C3)c3cc4ccccc4cc3-c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c32)=C1
InChIInChI=1S/C53H37NO/c1-3-18-37(19-4-1)53(38-20-5-2-6-21-38)46-30-29-43-41-23-9-11-27-48(41)54(51(43)50(46)45-32-34-15-7-8-16-35(34)33-47(45)53)39-22-13-17-36(31-39)40-25-14-26-44-42-24-10-12-28-49(42)55-52(40)44/h1,3,5,7-18,20-33H,2,4,6,19H2
InChIKeyRNKATDDBPPKEMU-UHFFFAOYSA-N
XLogP14.32
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene with MolForge

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Related Compounds

3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
12'-[6-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[8H-benzo[a]azulene-10,7'-indeno[1,2-a]carbazole]
CID 139453599
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 138744026
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159084891
10-cyclohexa-1,3-dien-1-yl-10-phenyl-23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene
CID 163423703
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 161096514
3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 88573967
12'-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014953
18-(3-cyclohexa-1,3-dien-1-ylphenyl)-15-[3-(4-phenyl-5,6-dihydroquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 163606078
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014822

Frequently Asked Questions

What is the IUPAC name of 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene?
The IUPAC name of 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene (CID 129305352) is 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene.
What is the SMILES notation for 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene?
The canonical SMILES for 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene is C1=CCCC(C2(C3=CCCC=C3)c3cc4ccccc4cc3-c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c32)=C1.
What is the InChIKey of 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene?
The InChIKey is RNKATDDBPPKEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-3-18-37(19-4-1)53(38-20-5-2-6-21-38)46-30-29-43-41-23-9-11-27-48(41)54(51(43)50(46)45-32-34-15-7-8-16-35(34)33-47(45)53)39-22-13-17-36(31-39)40-25-14-26-44-42-24-10-12-28-49(42)55-52(40)44/h1,3,5,7-18,20-33H,2,4,6,19H2.
What are the key properties of 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene?
14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene has a molecular weight of 703.89 g/mol, XLogP of 14.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexa-1,3-dien-1-yl-14-cyclohexa-1,5-dien-1-yl-3-(3-dibenzofuran-4-ylphenyl)-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 129305352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).