N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine

C53H41N — CID 140919895

IUPACN-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)ccc2-c2ccc(C3(C)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C53H41N/c1-52(2)50-33-38(53(3)48-25-15-13-23-43(48)44-24-14-16-26-49(44)53)27-30-45(50)46-32-29-41(35-51(46)52)54(39-21-11-6-12-22-39)40-28-31-42(36-17-7-4-8-18-36)47(34-40)37-19-9-5-10-20-37/h4-35H,1-3H3
InChIKeyOIUNYWZKHUTFBI-UHFFFAOYSA-N
MW691.92 g/mol
LogP14.13
Rot. Bonds6

About N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine

N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine (PubChem CID 140919895) has the molecular formula C53H41N and a molecular weight of 691.92 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine
PubChem CID140919895
Molecular FormulaC53H41N
Molecular Weight691.92 g/mol
Exact Mass691.32
IUPAC NameN-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)ccc2-c2ccc(C3(C)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C53H41N/c1-52(2)50-33-38(53(3)48-25-15-13-23-43(48)44-24-14-16-26-49(44)53)27-30-45(50)46-32-29-41(35-51(46)52)54(39-21-11-6-12-22-39)40-28-31-42(36-17-7-4-8-18-36)47(34-40)37-19-9-5-10-20-37/h4-35H,1-3H3
InChIKeyOIUNYWZKHUTFBI-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.92
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
9,9-dimethyl-N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 165158461
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160568541
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine
CID 140919877

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine (CID 140919895) is N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)ccc2-c2ccc(C3(C)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine?
The InChIKey is OIUNYWZKHUTFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N/c1-52(2)50-33-38(53(3)48-25-15-13-23-43(48)44-24-14-16-26-49(44)53)27-30-45(50)46-32-29-41(35-51(46)52)54(39-21-11-6-12-22-39)40-28-31-42(36-17-7-4-8-18-36)47(34-40)37-19-9-5-10-20-37/h4-35H,1-3H3.
What are the key properties of N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine?
N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine has a molecular weight of 691.92 g/mol, XLogP of 14.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 140919895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).