9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane]

C43H38 — CID 123251884

IUPAC9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESCC(Cc1ccc2c(c1)C1(CCCCC1)c1ccc3ccccc3c1-2)Cc1cc2c(c3ccccc13)-c1ccccc1C2
InChIInChI=1S/C43H38/c1-28(24-32-27-33-26-31-12-4-6-15-36(31)41(33)37-16-8-7-13-34(32)37)23-29-17-19-38-40(25-29)43(21-9-2-10-22-43)39-20-18-30-11-3-5-14-35(30)42(38)39/h3-8,11-20,25,27-28H,2,9-10,21-24,26H2,1H3
InChIKeySINPGHPEZHCORF-UHFFFAOYSA-N
MW554.78 g/mol
LogP11.22
Rot. Bonds4

About 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane]

9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane] (PubChem CID 123251884) has the molecular formula C43H38 and a molecular weight of 554.78 g/mol. Its IUPAC name is 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane].

Molecular Properties

Compound Name9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane]
PubChem CID123251884
Molecular FormulaC43H38
Molecular Weight554.78 g/mol
Exact Mass554.30
IUPAC Name9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESCC(Cc1ccc2c(c1)C1(CCCCC1)c1ccc3ccccc3c1-2)Cc1cc2c(c3ccccc13)-c1ccccc1C2
InChIInChI=1S/C43H38/c1-28(24-32-27-33-26-31-12-4-6-15-36(31)41(33)37-16-8-7-13-34(32)37)23-29-17-19-38-40(25-29)43(21-9-2-10-22-43)39-20-18-30-11-3-5-14-35(30)42(38)39/h3-8,11-20,25,27-28H,2,9-10,21-24,26H2,1H3
InChIKeySINPGHPEZHCORF-UHFFFAOYSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.78
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane] with MolForge

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Related Compounds

spiro[benzo[c]fluorene-7,1'-cyclopentane]
CID 59806731
12',12'-dimethylspiro[cyclohexane-1,22'-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene]
CID 164817979
5-ethylspiro[benzo[c]fluorene-7,1'-cyclopentane]
CID 143561125
3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158727165
9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 59243882
5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 90277873
6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 158149604
spiro[benzo[a]fluorene-11,1'-cyclononane]
CID 143254805
9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 118360866
CID 168838213
CID 168838213
N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine
CID 157327402
9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene
CID 160788776

Frequently Asked Questions

What is the IUPAC name of 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane]?
The IUPAC name of 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane] (CID 123251884) is 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane].
What is the SMILES notation for 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane]?
The canonical SMILES for 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane] is CC(Cc1ccc2c(c1)C1(CCCCC1)c1ccc3ccccc3c1-2)Cc1cc2c(c3ccccc13)-c1ccccc1C2.
What is the InChIKey of 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane]?
The InChIKey is SINPGHPEZHCORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38/c1-28(24-32-27-33-26-31-12-4-6-15-36(31)41(33)37-16-8-7-13-34(32)37)23-29-17-19-38-40(25-29)43(21-9-2-10-22-43)39-20-18-30-11-3-5-14-35(30)42(38)39/h3-8,11-20,25,27-28H,2,9-10,21-24,26H2,1H3.
What are the key properties of 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane]?
9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane] has a molecular weight of 554.78 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(7H-benzo[c]fluoren-5-yl)-2-methylpropyl]spiro[benzo[c]fluorene-7,1'-cyclohexane] is sourced from PubChem (CID 123251884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).