N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C54H43N — CID 168801663

IUPACN-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)ccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C54H43N/c1-53(2)48-21-13-11-19-43(48)45-30-25-40(34-50(45)53)47-33-39(37-17-9-6-10-18-37)26-32-52(47)55(41-27-23-38(24-28-41)36-15-7-5-8-16-36)42-29-31-46-44-20-12-14-22-49(44)54(3,4)51(46)35-42/h5-35H,1-4H3
InChIKeyGXVHPYVNWOVGSO-UHFFFAOYSA-N
MW705.95 g/mol
LogP14.77
Rot. Bonds6

About N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 168801663) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID168801663
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC NameN-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)ccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C54H43N/c1-53(2)48-21-13-11-19-43(48)45-30-25-40(34-50(45)53)47-33-39(37-17-9-6-10-18-37)26-32-52(47)55(41-27-23-38(24-28-41)36-15-7-5-8-16-36)42-29-31-46-44-20-12-14-22-49(44)54(3,4)51(46)35-42/h5-35H,1-4H3
InChIKeyGXVHPYVNWOVGSO-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
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
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481385
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-2-amine;N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 158711981

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 168801663) is N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)ccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is GXVHPYVNWOVGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-53(2)48-21-13-11-19-43(48)45-30-25-40(34-50(45)53)47-33-39(37-17-9-6-10-18-37)26-32-52(47)55(41-27-23-38(24-28-41)36-15-7-5-8-16-36)42-29-31-46-44-20-12-14-22-49(44)54(3,4)51(46)35-42/h5-35H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 705.95 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168801663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).