5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine

C58H46N2 — CID 138601404

IUPAC5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4c(cc5ccccc35)C(C)(C)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc3-4)cc21
InChIInChI=1S/C58H46N2/c1-57(2)51-27-17-16-26-48(51)49-34-32-46(38-52(49)57)60(43-23-12-7-13-24-43)56-47-25-15-14-20-41(47)36-54-55(56)50-35-33-45(37-53(50)58(54,3)4)59(42-21-10-6-11-22-42)44-30-28-40(29-31-44)39-18-8-5-9-19-39/h5-38H,1-4H3
InChIKeyUQSJIFOOIZUHPJ-UHFFFAOYSA-N
MW771.02 g/mol
LogP16.06
Rot. Bonds7

About 5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine

5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine (PubChem CID 138601404) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is 5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine.

Molecular Properties

Compound Name5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
PubChem CID138601404
Molecular FormulaC58H46N2
Molecular Weight771.02 g/mol
Exact Mass770.37
IUPAC Name5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4c(cc5ccccc35)C(C)(C)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc3-4)cc21
InChIInChI=1S/C58H46N2/c1-57(2)51-27-17-16-26-48(51)49-34-32-46(38-52(49)57)60(43-23-12-7-13-24-43)56-47-25-15-14-20-41(47)36-54-55(56)50-35-33-45(37-53(50)58(54,3)4)59(42-21-10-6-11-22-42)44-30-28-40(29-31-44)39-18-8-5-9-19-39/h5-38H,1-4H3
InChIKeyUQSJIFOOIZUHPJ-UHFFFAOYSA-N
XLogP16.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.02
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161038802
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 134442738
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
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
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine
CID 171401760
9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139355272
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214

Frequently Asked Questions

What is the IUPAC name of 5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine?
The IUPAC name of 5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine (CID 138601404) is 5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine.
What is the SMILES notation for 5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine?
The canonical SMILES for 5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4c(cc5ccccc35)C(C)(C)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc3-4)cc21.
What is the InChIKey of 5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine?
The InChIKey is UQSJIFOOIZUHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-57(2)51-27-17-16-26-48(51)49-34-32-46(38-52(49)57)60(43-23-12-7-13-24-43)56-47-25-15-14-20-41(47)36-54-55(56)50-35-33-45(37-53(50)58(54,3)4)59(42-21-10-6-11-22-42)44-30-28-40(29-31-44)39-18-8-5-9-19-39/h5-38H,1-4H3.
What are the key properties of 5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine?
5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine has a molecular weight of 771.02 g/mol, XLogP of 16.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine is sourced from PubChem (CID 138601404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).