N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine

C70H49N — CID 129258823

IUPACN-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5c(-c6ccccc6)cccc54)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21
InChIInChI=1S/C70H49N/c1-69(2)60-31-15-12-26-55(60)56-42-41-52(45-65(56)69)71(66-43-38-50(46-20-6-3-7-21-46)44-59(66)48-24-10-5-11-25-48)51-39-36-49(37-40-51)54-30-19-35-64-68(54)58-28-14-17-33-62(58)70(64)61-32-16-13-27-57(61)67-53(29-18-34-63(67)70)47-22-8-4-9-23-47/h3-45H,1-2H3
InChIKeyFPXWKBBZXHWGJR-UHFFFAOYSA-N
MW904.17 g/mol
LogP18.47
Rot. Bonds7

About N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine

N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine (PubChem CID 129258823) has the molecular formula C70H49N and a molecular weight of 904.17 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
PubChem CID129258823
Molecular FormulaC70H49N
Molecular Weight904.17 g/mol
Exact Mass903.39
IUPAC NameN-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5c(-c6ccccc6)cccc54)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21
InChIInChI=1S/C70H49N/c1-69(2)60-31-15-12-26-55(60)56-42-41-52(45-65(56)69)71(66-43-38-50(46-20-6-3-7-21-46)44-59(66)48-24-10-5-11-25-48)51-39-36-49(37-40-51)54-30-19-35-64-68(54)58-28-14-17-33-62(58)70(64)61-32-16-13-27-57(61)67-53(29-18-34-63(67)70)47-22-8-4-9-23-47/h3-45H,1-2H3
InChIKeyFPXWKBBZXHWGJR-UHFFFAOYSA-N
XLogP18.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.17
LogP ≤ 518.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325443
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481385
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 167649128

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine (CID 129258823) is N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5c(-c6ccccc6)cccc54)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21.
What is the InChIKey of N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The InChIKey is FPXWKBBZXHWGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N/c1-69(2)60-31-15-12-26-55(60)56-42-41-52(45-65(56)69)71(66-43-38-50(46-20-6-3-7-21-46)44-59(66)48-24-10-5-11-25-48)51-39-36-49(37-40-51)54-30-19-35-64-68(54)58-28-14-17-33-62(58)70(64)61-32-16-13-27-57(61)67-53(29-18-34-63(67)70)47-22-8-4-9-23-47/h3-45H,1-2H3.
What are the key properties of N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine has a molecular weight of 904.17 g/mol, XLogP of 18.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 129258823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).