9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine

C80H63N — CID 167413773

IUPAC9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2C2(c3ccccc3-c3cc(N(c4cccc(-c5cccc(-c6ccccc6)c5)c4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C80H63N/c1-78(2)74-48-59(54-21-8-4-9-22-54)35-38-71(74)80(72-39-36-60(49-75(72)78)55-23-10-5-11-24-55)68-31-14-12-29-65(68)67-50-64(37-40-70(67)80)81(63-28-17-27-58(47-63)57-26-16-25-56(46-57)53-19-6-3-7-20-53)76-34-18-33-73-77(76)66-30-13-15-32-69(66)79(73)61-42-51-41-52(44-61)45-62(79)43-51/h3-40,46-52,61-62H,41-45H2,1-2H3
InChIKeyPUPAJKDWYAJYJD-UHFFFAOYSA-N
MW1038.39 g/mol
LogP20.55
Rot. Bonds7

About 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine

9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine (PubChem CID 167413773) has the molecular formula C80H63N and a molecular weight of 1038.39 g/mol. Its IUPAC name is 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine.

Molecular Properties

Compound Name9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
PubChem CID167413773
Molecular FormulaC80H63N
Molecular Weight1038.39 g/mol
Exact Mass1037.50
IUPAC Name9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2C2(c3ccccc3-c3cc(N(c4cccc(-c5cccc(-c6ccccc6)c5)c4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C80H63N/c1-78(2)74-48-59(54-21-8-4-9-22-54)35-38-71(74)80(72-39-36-60(49-75(72)78)55-23-10-5-11-24-55)68-31-14-12-29-65(68)67-50-64(37-40-70(67)80)81(63-28-17-27-58(47-63)57-26-16-25-56(46-57)53-19-6-3-7-20-53)76-34-18-33-73-77(76)66-30-13-15-32-69(66)79(73)61-42-51-41-52(44-61)45-62(79)43-51/h3-40,46-52,61-62H,41-45H2,1-2H3
InChIKeyPUPAJKDWYAJYJD-UHFFFAOYSA-N
XLogP20.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.39
LogP ≤ 520.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine with MolForge

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Related Compounds

N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722293
N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176595545
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
CID 156567971
N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine
CID 155407455
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
1-N,6-N-diphenyl-6-N-spiro[adamantane-2,9'-fluorene]-3'-yl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 166050368
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168723059
9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-4-amine
CID 176595342
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413771
N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine
CID 167413813

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine?
The IUPAC name of 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine (CID 167413773) is 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine.
What is the SMILES notation for 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine?
The canonical SMILES for 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine is CC1(C)c2cc(-c3ccccc3)ccc2C2(c3ccccc3-c3cc(N(c4cccc(-c5cccc(-c6ccccc6)c5)c4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine?
The InChIKey is PUPAJKDWYAJYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H63N/c1-78(2)74-48-59(54-21-8-4-9-22-54)35-38-71(74)80(72-39-36-60(49-75(72)78)55-23-10-5-11-24-55)68-31-14-12-29-65(68)67-50-64(37-40-70(67)80)81(63-28-17-27-58(47-63)57-26-16-25-56(46-57)53-19-6-3-7-20-53)76-34-18-33-73-77(76)66-30-13-15-32-69(66)79(73)61-42-51-41-52(44-61)45-62(79)43-51/h3-40,46-52,61-62H,41-45H2,1-2H3.
What are the key properties of 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine?
9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine has a molecular weight of 1038.39 g/mol, XLogP of 20.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine is sourced from PubChem (CID 167413773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).