11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine

C67H52N2 — CID 145396686

IUPAC11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
SMILESCC1(C)C2=CC3C=CC=CC3C(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)=C2c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C67H52N2/c1-67(2)63-46-60(68(56-35-27-51(28-36-56)47-17-7-3-8-18-47)57-37-29-52(30-38-57)48-19-9-4-10-20-48)43-44-62(63)65-64(67)45-55-25-15-16-26-61(55)66(65)69(58-39-31-53(32-40-58)49-21-11-5-12-22-49)59-41-33-54(34-42-59)50-23-13-6-14-24-50/h3-46,55,61H,1-2H3
InChIKeyBKLJLJGLHYYUQC-UHFFFAOYSA-N
MW885.17 g/mol
LogP17.96
Rot. Bonds10

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

11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine (PubChem CID 145396686) has the molecular formula C67H52N2 and a molecular weight of 885.17 g/mol. Its IUPAC name is 11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine.

Molecular Properties

Compound Name11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
PubChem CID145396686
Molecular FormulaC67H52N2
Molecular Weight885.17 g/mol
Exact Mass884.41
IUPAC Name11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
SMILESCC1(C)C2=CC3C=CC=CC3C(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)=C2c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C67H52N2/c1-67(2)63-46-60(68(56-35-27-51(28-36-56)47-17-7-3-8-18-47)57-37-29-52(30-38-57)48-19-9-4-10-20-48)43-44-62(63)65-64(67)45-55-25-15-16-26-61(55)66(65)69(58-39-31-53(32-40-58)49-21-11-5-12-22-49)59-41-33-54(34-42-59)50-23-13-6-14-24-50/h3-46,55,61H,1-2H3
InChIKeyBKLJLJGLHYYUQC-UHFFFAOYSA-N
XLogP17.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.17
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
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-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
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
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine?
The IUPAC name of 11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine (CID 145396686) is 11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine.
What is the SMILES notation for 11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine?
The canonical SMILES for 11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine is CC1(C)C2=CC3C=CC=CC3C(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)=C2c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine?
The InChIKey is BKLJLJGLHYYUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N2/c1-67(2)63-46-60(68(56-35-27-51(28-36-56)47-17-7-3-8-18-47)57-37-29-52(30-38-57)48-19-9-4-10-20-48)43-44-62(63)65-64(67)45-55-25-15-16-26-61(55)66(65)69(58-39-31-53(32-40-58)49-21-11-5-12-22-49)59-41-33-54(34-42-59)50-23-13-6-14-24-50/h3-46,55,61H,1-2H3.
What are the key properties of 11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine?
11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine has a molecular weight of 885.17 g/mol, XLogP of 17.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine is sourced from PubChem (CID 145396686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).