9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene

C48H40 — CID 163803571

IUPAC9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene
SMILESCC1(C)C2=C(c3c1cc(-c1ccc4cc(C5=CC6C(C=C5)c5ccccc5C6(C)C)ccc4c1)c1ccccc31)C1C=CC=CC1C=C2
InChIInChI=1S/C48H40/c1-47(2)41-16-10-9-14-37(41)38-23-21-33(27-43(38)47)31-17-18-32-26-34(20-19-30(32)25-31)40-28-44-46(39-15-8-7-13-36(39)40)45-35-12-6-5-11-29(35)22-24-42(45)48(44,3)4/h5-29,35,38,43H,1-4H3
InChIKeyNHBCCBMGLFGIQK-UHFFFAOYSA-N
MW616.85 g/mol
LogP12.28
Rot. Bonds2

About 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene

9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene (PubChem CID 163803571) has the molecular formula C48H40 and a molecular weight of 616.85 g/mol. Its IUPAC name is 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene.

Molecular Properties

Compound Name9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene
PubChem CID163803571
Molecular FormulaC48H40
Molecular Weight616.85 g/mol
Exact Mass616.31
IUPAC Name9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene
SMILESCC1(C)C2=C(c3c1cc(-c1ccc4cc(C5=CC6C(C=C5)c5ccccc5C6(C)C)ccc4c1)c1ccccc31)C1C=CC=CC1C=C2
InChIInChI=1S/C48H40/c1-47(2)41-16-10-9-14-37(41)38-23-21-33(27-43(38)47)31-17-18-32-26-34(20-19-30(32)25-31)40-28-44-46(39-15-8-7-13-36(39)40)45-35-12-6-5-11-29(35)22-24-42(45)48(44,3)4/h5-29,35,38,43H,1-4H3
InChIKeyNHBCCBMGLFGIQK-UHFFFAOYSA-N
XLogP12.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.85
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene with MolForge

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Related Compounds

3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene
CID 59582849
N-[4-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 157466743
12,12-dimethyl-9,15-dinaphthalen-2-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 58151535
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-8-(10-phenylanthracen-9-yl)-6a,10a-dihydroindeno[1,2-b]fluorene;9-(9,9-dimethylfluoren-2-yl)-10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[9,9-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]fluoren-2-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 159205359
12,12-dimethyl-9-naphthalen-2-yl-15-(6-naphthalen-2-ylnaphthalen-2-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 140710788
2-[3-[3-[3-(4a,8a-dihydronaphthalen-2-yl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene;9,9-dimethyl-2-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]fluorene;2-[3-[3-[3-(4-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene;2-[3-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 158512882
4-[4-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-naphthalen-2-ylanilino]-6-(2-methylphenyl)cyclohexa-1,3-diene-1-thiol
CID 154955293
11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene
CID 143983255
7-chrysen-6-yl-9,9-dimethyl-4a,9a-dihydrofluorene-2-carbonitrile
CID 89036215
2-[7-(9,9'-spirobi[fluorene]-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 123276399
9-[4-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2,3-di(ethylidene)-6-naphthalen-2-ylnaphthalen-1-yl]phenanthrene
CID 91436051
9-[3-(6-naphthalen-2-yl-4a,8a-dihydronaphthalen-2-yl)phenyl]phenanthrene
CID 140906445

Frequently Asked Questions

What is the IUPAC name of 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene?
The IUPAC name of 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene (CID 163803571) is 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene.
What is the SMILES notation for 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene?
The canonical SMILES for 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene is CC1(C)C2=C(c3c1cc(-c1ccc4cc(C5=CC6C(C=C5)c5ccccc5C6(C)C)ccc4c1)c1ccccc31)C1C=CC=CC1C=C2.
What is the InChIKey of 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene?
The InChIKey is NHBCCBMGLFGIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40/c1-47(2)41-16-10-9-14-37(41)38-23-21-33(27-43(38)47)31-17-18-32-26-34(20-19-30(32)25-31)40-28-44-46(39-15-8-7-13-36(39)40)45-35-12-6-5-11-29(35)22-24-42(45)48(44,3)4/h5-29,35,38,43H,1-4H3.
What are the key properties of 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene?
9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene has a molecular weight of 616.85 g/mol, XLogP of 12.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene is sourced from PubChem (CID 163803571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).