2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene

C54H50 — CID 139937049

IUPAC2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESCC1=Cc2cccc(-c3ccc4ccccc4c3)c2C1C(c1ccccc1)(c1ccccc1)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C54H50/c1-35-31-39-19-16-24-44(38-26-25-36-17-14-15-18-37(36)32-38)49(39)50(35)54(40-20-10-8-11-21-40,41-22-12-9-13-23-41)51-47-33-42(52(2,3)4)27-29-45(47)46-30-28-43(34-48(46)51)53(5,6)7/h8-34,50-51H,1-7H3
InChIKeyAAHIPTRRXQHQRN-UHFFFAOYSA-N
MW698.99 g/mol
LogP14.40
Rot. Bonds5

About 2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene

2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (PubChem CID 139937049) has the molecular formula C54H50 and a molecular weight of 698.99 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
PubChem CID139937049
Molecular FormulaC54H50
Molecular Weight698.99 g/mol
Exact Mass698.39
IUPAC Name2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESCC1=Cc2cccc(-c3ccc4ccccc4c3)c2C1C(c1ccccc1)(c1ccccc1)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C54H50/c1-35-31-39-19-16-24-44(38-26-25-36-17-14-15-18-37(36)32-38)49(39)50(35)54(40-20-10-8-11-21-40,41-22-12-9-13-23-41)51-47-33-42(52(2,3)4)27-29-45(47)46-30-28-43(34-48(46)51)53(5,6)7/h8-34,50-51H,1-7H3
InChIKeyAAHIPTRRXQHQRN-UHFFFAOYSA-N
XLogP14.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.99
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
2,7-ditert-butyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139936992
2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine
CID 139937216
2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937205
9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene
CID 139937081
2,7-ditert-butyl-9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937068
2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937040
9-[(2-methyl-5-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937239
2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 101338672
2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937267
2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 158638548
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The IUPAC name of 2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (CID 139937049) is 2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The canonical SMILES for 2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is CC1=Cc2cccc(-c3ccc4ccccc4c3)c2C1C(c1ccccc1)(c1ccccc1)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The InChIKey is AAHIPTRRXQHQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50/c1-35-31-39-19-16-24-44(38-26-25-36-17-14-15-18-37(36)32-38)49(39)50(35)54(40-20-10-8-11-21-40,41-22-12-9-13-23-41)51-47-33-42(52(2,3)4)27-29-45(47)46-30-28-43(34-48(46)51)53(5,6)7/h8-34,50-51H,1-7H3.
What are the key properties of 2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene has a molecular weight of 698.99 g/mol, XLogP of 14.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is sourced from PubChem (CID 139937049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).