9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C45H30 — CID 140725725

IUPAC9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCC1(C)c2cc(-c3ccccc3-c3ccc4c5c(cccc35)-c3ccccc3-4)c3ccccc3c2-c2ccc3ccccc3c21
InChIInChI=1S/C45H30/c1-45(2)41-26-40(33-18-9-10-19-37(33)43(41)39-23-22-27-12-3-4-13-28(27)44(39)45)32-17-8-5-14-29(32)34-24-25-38-31-16-7-6-15-30(31)35-20-11-21-36(34)42(35)38/h3-26H,1-2H3
InChIKeyAQXBDGBHTGSHGM-UHFFFAOYSA-N
MW570.74 g/mol
LogP12.43
Rot. Bonds2

About 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 140725725) has the molecular formula C45H30 and a molecular weight of 570.74 g/mol. Its IUPAC name is 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID140725725
Molecular FormulaC45H30
Molecular Weight570.74 g/mol
Exact Mass570.23
IUPAC Name9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCC1(C)c2cc(-c3ccccc3-c3ccc4c5c(cccc35)-c3ccccc3-4)c3ccccc3c2-c2ccc3ccccc3c21
InChIInChI=1S/C45H30/c1-45(2)41-26-40(33-18-9-10-19-37(33)43(41)39-23-22-27-12-3-4-13-28(27)44(39)45)32-17-8-5-14-29(32)34-24-25-38-31-16-7-6-15-30(31)35-20-11-21-36(34)42(35)38/h3-26H,1-2H3
InChIKeyAQXBDGBHTGSHGM-UHFFFAOYSA-N
XLogP12.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Related Compounds

22-fluoranthen-3-yl-25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725305
12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151571
15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;ethane
CID 91017254
9-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethyl-15-naphthalen-1-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479641
9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140962679
11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene
CID 159708205
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
9-(12,12-dimethyl-15-naphthalen-1-yl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479675
25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742066
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
21-fluoranthen-3-yl-10,10-dimethyl-14-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175326
12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140710669

Frequently Asked Questions

What is the IUPAC name of 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 140725725) is 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is CC1(C)c2cc(-c3ccccc3-c3ccc4c5c(cccc35)-c3ccccc3-4)c3ccccc3c2-c2ccc3ccccc3c21.
What is the InChIKey of 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is AQXBDGBHTGSHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30/c1-45(2)41-26-40(33-18-9-10-19-37(33)43(41)39-23-22-27-12-3-4-13-28(27)44(39)45)32-17-8-5-14-29(32)34-24-25-38-31-16-7-6-15-30(31)35-20-11-21-36(34)42(35)38/h3-26H,1-2H3.
What are the key properties of 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 570.74 g/mol, XLogP of 12.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluoranthen-3-ylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 140725725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).