7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene

C45H30N2 — CID 153399328

IUPAC7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene
SMILESC=Cc1c(/C=C\C)c2c(ccc3c4c5ccccc5ccc4n(-c4ccccc4)c32)n1-c1cc2c3c(cccc3c1)-c1ccccc1-2
InChIInChI=1S/C45H30N2/c1-3-13-36-39(4-2)46(31-26-29-15-12-21-35-33-19-10-11-20-34(33)38(27-31)42(29)35)41-25-23-37-43-32-18-9-8-14-28(32)22-24-40(43)47(45(37)44(36)41)30-16-6-5-7-17-30/h3-27H,2H2,1H3/b13-3-
InChIKeyUYSYNEMMFGHUNK-DXNYSGJVSA-N
MW598.75 g/mol
LogP12.36
Rot. Bonds4

About 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene

7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene (PubChem CID 153399328) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene.

Molecular Properties

Compound Name7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene
PubChem CID153399328
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene
SMILESC=Cc1c(/C=C\C)c2c(ccc3c4c5ccccc5ccc4n(-c4ccccc4)c32)n1-c1cc2c3c(cccc3c1)-c1ccccc1-2
InChIInChI=1S/C45H30N2/c1-3-13-36-39(4-2)46(31-26-29-15-12-21-35-33-19-10-11-20-34(33)38(27-31)42(29)35)41-25-23-37-43-32-18-9-8-14-28(32)22-24-40(43)47(45(37)44(36)41)30-16-6-5-7-17-30/h3-27H,2H2,1H3/b13-3-
InChIKeyUYSYNEMMFGHUNK-DXNYSGJVSA-N
XLogP12.36
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene with MolForge

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Related Compounds

10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
21-ethenyl-4,22-diphenyl-20-[(Z)-prop-1-enyl]-4,15,22-triazaoctacyclo[13.13.1.02,14.03,11.05,10.016,24.019,23.025,29]nonacosa-1(29),2(14),3(11),5,7,9,12,16(24),17,19(23),20,25,27-tridecaene
CID 166881227
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
CID 144536744
16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154975124
7-(9-fluoranthen-2-ylcarbazol-3-yl)benzo[c]carbazole
CID 130295338
9-fluoranthen-3-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341837
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
3-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
CID 149096382
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]pyrrolo[2,3-k]phenanthridine
CID 129127682
8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole
CID 130294967
9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341830

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene?
The IUPAC name of 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene (CID 153399328) is 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene.
What is the SMILES notation for 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene?
The canonical SMILES for 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene is C=Cc1c(/C=C\C)c2c(ccc3c4c5ccccc5ccc4n(-c4ccccc4)c32)n1-c1cc2c3c(cccc3c1)-c1ccccc1-2.
What is the InChIKey of 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene?
The InChIKey is UYSYNEMMFGHUNK-DXNYSGJVSA-N. The full InChI is InChI=1S/C45H30N2/c1-3-13-36-39(4-2)46(31-26-29-15-12-21-35-33-19-10-11-20-34(33)38(27-31)42(29)35)41-25-23-37-43-32-18-9-8-14-28(32)22-24-40(43)47(45(37)44(36)41)30-16-6-5-7-17-30/h3-27H,2H2,1H3/b13-3-.
What are the key properties of 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene?
7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene has a molecular weight of 598.75 g/mol, XLogP of 12.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene is sourced from PubChem (CID 153399328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).