naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone

C46H34O2 — CID 59801074

IUPACnaphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone
SMILESCC1(C)c2cc(C(=O)c3ccc4ccccc4c3)ccc2-c2cc3c(cc21)-c1ccc(C(=O)c2ccc4ccccc4c2)cc1C3(C)C
InChIInChI=1S/C46H34O2/c1-45(2)39-23-33(43(47)31-15-13-27-9-5-7-11-29(27)21-31)17-19-35(39)37-26-42-38(25-41(37)45)36-20-18-34(24-40(36)46(42,3)4)44(48)32-16-14-28-10-6-8-12-30(28)22-32/h5-26H,1-4H3
InChIKeyHGASXZGDJNEZJT-UHFFFAOYSA-N
MW618.78 g/mol
LogP11.07
Rot. Bonds4

About naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone

naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone (PubChem CID 59801074) has the molecular formula C46H34O2 and a molecular weight of 618.78 g/mol. Its IUPAC name is naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone
PubChem CID59801074
Molecular FormulaC46H34O2
Molecular Weight618.78 g/mol
Exact Mass618.26
IUPAC Namenaphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone
SMILESCC1(C)c2cc(C(=O)c3ccc4ccccc4c3)ccc2-c2cc3c(cc21)-c1ccc(C(=O)c2ccc4ccccc4c2)cc1C3(C)C
InChIInChI=1S/C46H34O2/c1-45(2)39-23-33(43(47)31-15-13-27-9-5-7-11-29(27)21-31)17-19-35(39)37-26-42-38(25-41(37)45)36-20-18-34(24-40(36)46(42,3)4)44(48)32-16-14-28-10-6-8-12-30(28)22-32/h5-26H,1-4H3
InChIKeyHGASXZGDJNEZJT-UHFFFAOYSA-N
XLogP11.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
dinaphthalen-2-ylmethanone
CID 10945915
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid
CID 139978989
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone?
The IUPAC name of naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone (CID 59801074) is naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone.
What is the SMILES notation for naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone?
The canonical SMILES for naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone is CC1(C)c2cc(C(=O)c3ccc4ccccc4c3)ccc2-c2cc3c(cc21)-c1ccc(C(=O)c2ccc4ccccc4c2)cc1C3(C)C.
What is the InChIKey of naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone?
The InChIKey is HGASXZGDJNEZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34O2/c1-45(2)39-23-33(43(47)31-15-13-27-9-5-7-11-29(27)21-31)17-19-35(39)37-26-42-38(25-41(37)45)36-20-18-34(24-40(36)46(42,3)4)44(48)32-16-14-28-10-6-8-12-30(28)22-32/h5-26H,1-4H3.
What are the key properties of naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone?
naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone has a molecular weight of 618.78 g/mol, XLogP of 11.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone is sourced from PubChem (CID 59801074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).