2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine

C76H70N2 — CID 89152690

IUPAC2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
SMILESCc1c2ccc(N(c3ccc4c(c3)C(C)(C)C3=C4C=CCC3)c3ccc4c(c3)C(C)(C)C3=C4C=CCC3)cc2c(C)c2cc(N(c3ccc4c(c3)C(C)(C)C3=C4C=CCC3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12
InChIInChI=1S/C76H70N2/c1-45-53-33-27-47(77(49-29-35-59-55-19-11-15-23-65(55)73(3,4)69(59)41-49)50-30-36-60-56-20-12-16-24-66(56)74(5,6)70(60)42-50)39-63(53)46(2)64-40-48(28-34-54(45)64)78(51-31-37-61-57-21-13-17-25-67(57)75(7,8)71(61)43-51)52-32-38-62-58-22-14-18-26-68(58)76(9,10)72(62)44-52/h11-15,19-23,27-44H,16-18,24-26H2,1-10H3
InChIKeyDDMLWTSWHGSHIK-UHFFFAOYSA-N
MW1011.41 g/mol
LogP21.04
Rot. Bonds6

About 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine

2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine (PubChem CID 89152690) has the molecular formula C76H70N2 and a molecular weight of 1011.41 g/mol. Its IUPAC name is 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
PubChem CID89152690
Molecular FormulaC76H70N2
Molecular Weight1011.41 g/mol
Exact Mass1010.55
IUPAC Name2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
SMILESCc1c2ccc(N(c3ccc4c(c3)C(C)(C)C3=C4C=CCC3)c3ccc4c(c3)C(C)(C)C3=C4C=CCC3)cc2c(C)c2cc(N(c3ccc4c(c3)C(C)(C)C3=C4C=CCC3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12
InChIInChI=1S/C76H70N2/c1-45-53-33-27-47(77(49-29-35-59-55-19-11-15-23-65(55)73(3,4)69(59)41-49)50-30-36-60-56-20-12-16-24-66(56)74(5,6)70(60)42-50)39-63(53)46(2)64-40-48(28-34-54(45)64)78(51-31-37-61-57-21-13-17-25-67(57)75(7,8)71(61)43-51)52-32-38-62-58-22-14-18-26-68(58)76(9,10)72(62)44-52/h11-15,19-23,27-44H,16-18,24-26H2,1-10H3
InChIKeyDDMLWTSWHGSHIK-UHFFFAOYSA-N
XLogP21.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.41
LogP ≤ 521.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine with MolForge

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Related Compounds

2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
10-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-N,5-N,10-N-tris(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
CID 89074369
8-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N,8-N-diphenyl-5,6-dihydrobenzo[c]phenanthrene-3,8-diamine;ethane
CID 144726282
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
CID 88891872
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
CID 153357644
N-[4-[5-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)phenyl]-2,6-bis(4-fluorophenyl)pyrrolo[2,3-f]indol-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 88882512
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
CID 167219072
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[9H-benzo[a]azulene-10,9'-fluorene]-2'-amine
CID 166956969
N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 142480985

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine (CID 89152690) is 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine is Cc1c2ccc(N(c3ccc4c(c3)C(C)(C)C3=C4C=CCC3)c3ccc4c(c3)C(C)(C)C3=C4C=CCC3)cc2c(C)c2cc(N(c3ccc4c(c3)C(C)(C)C3=C4C=CCC3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12.
What is the InChIKey of 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine?
The InChIKey is DDMLWTSWHGSHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H70N2/c1-45-53-33-27-47(77(49-29-35-59-55-19-11-15-23-65(55)73(3,4)69(59)41-49)50-30-36-60-56-20-12-16-24-66(56)74(5,6)70(60)42-50)39-63(53)46(2)64-40-48(28-34-54(45)64)78(51-31-37-61-57-21-13-17-25-67(57)75(7,8)71(61)43-51)52-32-38-62-58-22-14-18-26-68(58)76(9,10)72(62)44-52/h11-15,19-23,27-44H,16-18,24-26H2,1-10H3.
What are the key properties of 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine?
2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine has a molecular weight of 1011.41 g/mol, XLogP of 21.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine is sourced from PubChem (CID 89152690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).