CID 58607554

C46H30 — CID 58607554

IUPAC—
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc3c(cc1-2)C1(c2ccccc2-c2ccccc21)c1cc(C)ccc1-3
InChIInChI=1S/C46H30/c1-27-19-21-33-35-25-44-36(26-43(35)45(41(33)23-27)37-15-7-3-11-29(37)30-12-4-8-16-38(30)45)34-22-20-28(2)24-42(34)46(44)39-17-9-5-13-31(39)32-14-6-10-18-40(32)46/h3-26H,1-2H3
InChIKeyDBSAQYDITFFHGS-UHFFFAOYSA-N
MW582.75 g/mol
LogP10.99
Rot. Bonds

About CID 58607554

CID 58607554 (PubChem CID 58607554) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol.

Molecular Properties

Compound NameCID 58607554
PubChem CID58607554
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name—
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc3c(cc1-2)C1(c2ccccc2-c2ccccc21)c1cc(C)ccc1-3
InChIInChI=1S/C46H30/c1-27-19-21-33-35-25-44-36(26-43(35)45(41(33)23-27)37-15-7-3-11-29(37)30-12-4-8-16-38(30)45)34-22-20-28(2)24-42(34)46(44)39-17-9-5-13-31(39)32-14-6-10-18-40(32)46/h3-26H,1-2H3
InChIKeyDBSAQYDITFFHGS-UHFFFAOYSA-N
XLogP10.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]
CID 59167173
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191
2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
CID 58309340

Frequently Asked Questions

What is the IUPAC name of CID 58607554?
The IUPAC name of CID 58607554 (CID 58607554) is not available.
What is the SMILES notation for CID 58607554?
The canonical SMILES for CID 58607554 is Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc3c(cc1-2)C1(c2ccccc2-c2ccccc21)c1cc(C)ccc1-3.
What is the InChIKey of CID 58607554?
The InChIKey is DBSAQYDITFFHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-27-19-21-33-35-25-44-36(26-43(35)45(41(33)23-27)37-15-7-3-11-29(37)30-12-4-8-16-38(30)45)34-22-20-28(2)24-42(34)46(44)39-17-9-5-13-31(39)32-14-6-10-18-40(32)46/h3-26H,1-2H3.
What are the key properties of CID 58607554?
CID 58607554 has a molecular weight of 582.75 g/mol, XLogP of 10.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58607554 is sourced from PubChem (CID 58607554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).