2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine

C68H52N2 — CID 58556059

IUPAC2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
SMILESCC(C)(C)c1ccc2c(N(c3ccccc3)c3cccc(C4c5ccccc5-c5ccccc54)c3)c3ccccc3c(N(c3ccccc3)c3cccc(C4c5ccccc5-c5ccccc54)c3)c2c1
InChIInChI=1S/C68H52N2/c1-68(2,3)47-40-41-62-63(44-47)67(70(49-26-8-5-9-27-49)51-29-21-23-46(43-51)65-58-36-16-12-32-54(58)55-33-13-17-37-59(55)65)61-39-19-18-38-60(61)66(62)69(48-24-6-4-7-25-48)50-28-20-22-45(42-50)64-56-34-14-10-30-52(56)53-31-11-15-35-57(53)64/h4-44,64-65H,1-3H3
InChIKeyBSVGPMHORJRYBM-UHFFFAOYSA-N
MW897.18 g/mol
LogP18.55
Rot. Bonds8

About 2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine

2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine (PubChem CID 58556059) has the molecular formula C68H52N2 and a molecular weight of 897.18 g/mol. Its IUPAC name is 2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine.

Molecular Properties

Compound Name2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
PubChem CID58556059
Molecular FormulaC68H52N2
Molecular Weight897.18 g/mol
Exact Mass896.41
IUPAC Name2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
SMILESCC(C)(C)c1ccc2c(N(c3ccccc3)c3cccc(C4c5ccccc5-c5ccccc54)c3)c3ccccc3c(N(c3ccccc3)c3cccc(C4c5ccccc5-c5ccccc54)c3)c2c1
InChIInChI=1S/C68H52N2/c1-68(2,3)47-40-41-62-63(44-47)67(70(49-26-8-5-9-27-49)51-29-21-23-46(43-51)65-58-36-16-12-32-54(58)55-33-13-17-37-59(55)65)61-39-19-18-38-60(61)66(62)69(48-24-6-4-7-25-48)50-28-20-22-45(42-50)64-56-34-14-10-30-52(56)53-31-11-15-35-57(53)64/h4-44,64-65H,1-3H3
InChIKeyBSVGPMHORJRYBM-UHFFFAOYSA-N
XLogP18.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.18
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine
CID 58421134
3-tert-butyl-N-(3-methylphenyl)-10-[(3-methylphenyl)-phenylmethyl]-N-phenylanthracen-9-amine
CID 130458228
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111
2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis[3,5-di(butan-2-yl)phenyl]anthracene-9,10-diamine
CID 147772175
9-N,10-N-bis(4-bromophenyl)-2,6-ditert-butyl-9-N,10-N-bis(4-tert-butylphenyl)anthracene-9,10-diamine
CID 59372230
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 159947296
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenyl-9H-fluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9H-fluoren-2-amine
CID 129061482
2-tert-butyl-9-N,10-N-bis[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9-N,10-N-diphenylanthracene-9,10-diamine
CID 138667719
9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-dinaphthalen-2-ylanthracene-9,10-diamine
CID 59133433
9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
CID 134483225
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(2,4,6-trimethylphenyl)anthracene-9,10-diamine
CID 59372209
2-tert-butyl-10-[3-tert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine
CID 59133298

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine?
The IUPAC name of 2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine (CID 58556059) is 2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine.
What is the SMILES notation for 2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine?
The canonical SMILES for 2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine is CC(C)(C)c1ccc2c(N(c3ccccc3)c3cccc(C4c5ccccc5-c5ccccc54)c3)c3ccccc3c(N(c3ccccc3)c3cccc(C4c5ccccc5-c5ccccc54)c3)c2c1.
What is the InChIKey of 2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine?
The InChIKey is BSVGPMHORJRYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N2/c1-68(2,3)47-40-41-62-63(44-47)67(70(49-26-8-5-9-27-49)51-29-21-23-46(43-51)65-58-36-16-12-32-54(58)55-33-13-17-37-59(55)65)61-39-19-18-38-60(61)66(62)69(48-24-6-4-7-25-48)50-28-20-22-45(42-50)64-56-34-14-10-30-52(56)53-31-11-15-35-57(53)64/h4-44,64-65H,1-3H3.
What are the key properties of 2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine?
2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine has a molecular weight of 897.18 g/mol, XLogP of 18.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-N,10-N-bis[3-(9H-fluoren-9-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine is sourced from PubChem (CID 58556059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).