20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

C34H24N4 — CID 135219975

IUPAC20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESC1=CCCC(n2c3ccc(-c4ccccc4)cc3c3ccc4c(c5cncnc5n4-c4ccccc4)c32)=C1
InChIInChI=1S/C34H24N4/c1-4-10-23(11-5-1)24-16-18-30-28(20-24)27-17-19-31-32(33(27)37(30)25-12-6-2-7-13-25)29-21-35-22-36-34(29)38(31)26-14-8-3-9-15-26/h1-6,8-12,14-22H,7,13H2
InChIKeyAUDVWFRLKRROPP-UHFFFAOYSA-N
MW488.59 g/mol
LogP8.54
Rot. Bonds3

About 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 135219975) has the molecular formula C34H24N4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
PubChem CID135219975
Molecular FormulaC34H24N4
Molecular Weight488.59 g/mol
Exact Mass488.20
IUPAC Name20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESC1=CCCC(n2c3ccc(-c4ccccc4)cc3c3ccc4c(c5cncnc5n4-c4ccccc4)c32)=C1
InChIInChI=1S/C34H24N4/c1-4-10-23(11-5-1)24-16-18-30-28(20-24)27-17-19-31-32(33(27)37(30)25-12-6-2-7-13-25)29-21-35-22-36-34(29)38(31)26-14-8-3-9-15-26/h1-6,8-12,14-22H,7,13H2
InChIKeyAUDVWFRLKRROPP-UHFFFAOYSA-N
XLogP8.54
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene with MolForge

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Related Compounds

12-cyclohexa-1,3-dien-1-yl-5-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 170206804
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole
CID 134390608
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
CID 153115110
9-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-phenyl-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 134442711
11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol
CID 174308160
10,20-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,24-triphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 118473598
12-(4-methylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 121287125
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
12-[3-(4-phenylphenyl)phenyl]-11-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[2,3-a]carbazole;12-(3-phenylphenyl)-11-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[2,3-a]carbazole;11-phenyl-12-(5-phenylpyrimido[5,4-b]indol-8-yl)indolo[2,3-a]carbazole;11-phenyl-12-(9-phenylpyrimido[4,5-b]indol-6-yl)indolo[2,3-a]carbazole
CID 162222181

Frequently Asked Questions

What is the IUPAC name of 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The IUPAC name of 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (CID 135219975) is 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is C1=CCCC(n2c3ccc(-c4ccccc4)cc3c3ccc4c(c5cncnc5n4-c4ccccc4)c32)=C1.
What is the InChIKey of 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The InChIKey is AUDVWFRLKRROPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4/c1-4-10-23(11-5-1)24-16-18-30-28(20-24)27-17-19-31-32(33(27)37(30)25-12-6-2-7-13-25)29-21-35-22-36-34(29)38(31)26-14-8-3-9-15-26/h1-6,8-12,14-22H,7,13H2.
What are the key properties of 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 488.59 g/mol, XLogP of 8.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 135219975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).