9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]

C52H36 — CID 171742596

IUPAC9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]
SMILESCC1(C)c2ccccc2C2(c3cc(-c4ccc5ccccc5c4)ccc3-c3c2cc(-c2ccc4ccccc4c2)c2ccccc32)c2ccccc21
InChIInChI=1S/C52H36/c1-51(2)44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)48-31-38(37-25-23-33-13-3-5-15-35(33)29-37)27-28-42(48)50-41-18-8-7-17-40(41)43(32-49(50)52)39-26-24-34-14-4-6-16-36(34)30-39/h3-32H,1-2H3
InChIKeyPOMFXAPUSREHBP-UHFFFAOYSA-N
MW660.86 g/mol
LogP13.48
Rot. Bonds2

About 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]

9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene] (PubChem CID 171742596) has the molecular formula C52H36 and a molecular weight of 660.86 g/mol. Its IUPAC name is 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene].

Molecular Properties

Compound Name9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]
PubChem CID171742596
Molecular FormulaC52H36
Molecular Weight660.86 g/mol
Exact Mass660.28
IUPAC Name9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]
SMILESCC1(C)c2ccccc2C2(c3cc(-c4ccc5ccccc5c4)ccc3-c3c2cc(-c2ccc4ccccc4c2)c2ccccc32)c2ccccc21
InChIInChI=1S/C52H36/c1-51(2)44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)48-31-38(37-25-23-33-13-3-5-15-35(33)29-37)27-28-42(48)50-41-18-8-7-17-40(41)43(32-49(50)52)39-26-24-34-14-4-6-16-36(34)30-39/h3-32H,1-2H3
InChIKeyPOMFXAPUSREHBP-UHFFFAOYSA-N
XLogP13.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
9-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-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 58151602
5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]
CID 171742936
5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]
CID 123871966
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
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]
CID 171743019
5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
3,3,24,24-tetramethyl-6,21-dinaphthalen-2-ylhexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181698
7,7-dimethyl-5-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 163434159
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]?
The IUPAC name of 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene] (CID 171742596) is 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene].
What is the SMILES notation for 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]?
The canonical SMILES for 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene] is CC1(C)c2ccccc2C2(c3cc(-c4ccc5ccccc5c4)ccc3-c3c2cc(-c2ccc4ccccc4c2)c2ccccc32)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]?
The InChIKey is POMFXAPUSREHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36/c1-51(2)44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)48-31-38(37-25-23-33-13-3-5-15-35(33)29-37)27-28-42(48)50-41-18-8-7-17-40(41)43(32-49(50)52)39-26-24-34-14-4-6-16-36(34)30-39/h3-32H,1-2H3.
What are the key properties of 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]?
9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene] has a molecular weight of 660.86 g/mol, XLogP of 13.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene] is sourced from PubChem (CID 171742596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).