5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene

C53H39I — CID 144772590

IUPAC5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene
SMILESC=CC.CI.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4ccccc34)ccc2-c2c1cc(-c1cccc3ccccc13)c1ccccc21
InChIInChI=1S/C49H30.C3H6.CH3I/c1-3-17-34-31(13-1)15-11-23-36(34)33-27-28-42-46(29-33)49(44-25-9-7-20-39(44)40-21-8-10-26-45(40)49)47-30-43(38-19-5-6-22-41(38)48(42)47)37-24-12-16-32-14-2-4-18-35(32)37;1-3-2;1-2/h1-30H;3H,1H2,2H3;1H3
InChIKeyOVRCLCAPKXUQHO-UHFFFAOYSA-N
MW802.80 g/mol
LogP15.07
Rot. Bonds2

About 5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene

5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene (PubChem CID 144772590) has the molecular formula C53H39I and a molecular weight of 802.80 g/mol. Its IUPAC name is 5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene.

Molecular Properties

Compound Name5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene
PubChem CID144772590
Molecular FormulaC53H39I
Molecular Weight802.80 g/mol
Exact Mass802.21
IUPAC Name5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene
SMILESC=CC.CI.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4ccccc34)ccc2-c2c1cc(-c1cccc3ccccc13)c1ccccc21
InChIInChI=1S/C49H30.C3H6.CH3I/c1-3-17-34-31(13-1)15-11-23-36(34)33-27-28-42-46(29-33)49(44-25-9-7-20-39(44)40-21-8-10-26-45(40)49)47-30-43(38-19-5-6-22-41(38)48(42)47)37-24-12-16-32-14-2-4-18-35(32)37;1-3-2;1-2/h1-30H;3H,1H2,2H3;1H3
InChIKeyOVRCLCAPKXUQHO-UHFFFAOYSA-N
XLogP15.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.80
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485112
2-naphthalen-1-ylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 140873354
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]
CID 171743019
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2,7-dinaphthalen-1-ylspiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]
CID 140836726
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342
9-(9,9-dimethylfluoren-2-yl)-15-[4-(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)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479669
2'-[12-(4-naphthalen-1-ylphenyl)chrysen-6-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485109
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine
CID 134528161

Frequently Asked Questions

What is the IUPAC name of 5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene?
The IUPAC name of 5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene (CID 144772590) is 5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene.
What is the SMILES notation for 5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene?
The canonical SMILES for 5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene is C=CC.CI.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4ccccc34)ccc2-c2c1cc(-c1cccc3ccccc13)c1ccccc21.
What is the InChIKey of 5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene?
The InChIKey is OVRCLCAPKXUQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30.C3H6.CH3I/c1-3-17-34-31(13-1)15-11-23-36(34)33-27-28-42-46(29-33)49(44-25-9-7-20-39(44)40-21-8-10-26-45(40)49)47-30-43(38-19-5-6-22-41(38)48(42)47)37-24-12-16-32-14-2-4-18-35(32)37;1-3-2;1-2/h1-30H;3H,1H2,2H3;1H3.
What are the key properties of 5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene?
5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene has a molecular weight of 802.80 g/mol, XLogP of 15.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene is sourced from PubChem (CID 144772590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).