5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine

C68H54N2 — CID 134442883

IUPAC5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
SMILESCC1(C)c2ccccc2C2=CC=C(N(C3=C4C(=CC5C=CC=CC35)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc34)c3ccccc3)CC21
InChIInChI=1S/C68H54N2/c1-67(2)61-35-21-20-34-58(61)59-42-40-56(45-62(59)67)70(53-31-16-7-17-32-53)66-57-33-19-18-24-49(57)44-64-65(66)60-43-41-55(46-63(60)68(64,50-25-10-4-11-26-50)51-27-12-5-13-28-51)69(52-29-14-6-15-30-52)54-38-36-48(37-39-54)47-22-8-3-9-23-47/h3-44,46,49,57,62H,45H2,1-2H3
InChIKeyDQFRRHYLVBNTAP-UHFFFAOYSA-N
MW899.19 g/mol
LogP16.97
Rot. Bonds9

About 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine

5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine (PubChem CID 134442883) has the molecular formula C68H54N2 and a molecular weight of 899.19 g/mol. Its IUPAC name is 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine.

Molecular Properties

Compound Name5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
PubChem CID134442883
Molecular FormulaC68H54N2
Molecular Weight899.19 g/mol
Exact Mass898.43
IUPAC Name5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
SMILESCC1(C)c2ccccc2C2=CC=C(N(C3=C4C(=CC5C=CC=CC35)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc34)c3ccccc3)CC21
InChIInChI=1S/C68H54N2/c1-67(2)61-35-21-20-34-58(61)59-42-40-56(45-62(59)67)70(53-31-16-7-17-32-53)66-57-33-19-18-24-49(57)44-64-65(66)60-43-41-55(46-63(60)68(64,50-25-10-4-11-26-50)51-27-12-5-13-28-51)69(52-29-14-6-15-30-52)54-38-36-48(37-39-54)47-22-8-3-9-23-47/h3-44,46,49,57,62H,45H2,1-2H3
InChIKeyDQFRRHYLVBNTAP-UHFFFAOYSA-N
XLogP16.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.19
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine with MolForge

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Related Compounds

11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
CID 145396686
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 129228869
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine
CID 171735958
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine
CID 123599290
N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine
CID 170038536
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987

Frequently Asked Questions

What is the IUPAC name of 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine?
The IUPAC name of 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine (CID 134442883) is 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine.
What is the SMILES notation for 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine?
The canonical SMILES for 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine is CC1(C)c2ccccc2C2=CC=C(N(C3=C4C(=CC5C=CC=CC35)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc34)c3ccccc3)CC21.
What is the InChIKey of 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine?
The InChIKey is DQFRRHYLVBNTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H54N2/c1-67(2)61-35-21-20-34-58(61)59-42-40-56(45-62(59)67)70(53-31-16-7-17-32-53)66-57-33-19-18-24-49(57)44-64-65(66)60-43-41-55(46-63(60)68(64,50-25-10-4-11-26-50)51-27-12-5-13-28-51)69(52-29-14-6-15-30-52)54-38-36-48(37-39-54)47-22-8-3-9-23-47/h3-44,46,49,57,62H,45H2,1-2H3.
What are the key properties of 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine?
5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine has a molecular weight of 899.19 g/mol, XLogP of 16.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine is sourced from PubChem (CID 134442883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).