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

C98H78N2 — CID 89189585

IUPAC2-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
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5ccc(-c6ccccc6)cc5)c4c3)cc21
InChIInChI=1S/C98H78N2/c1-95(2)85-31-19-15-27-73(85)77-49-43-69(57-89(77)95)99(70-44-50-78-74-28-16-20-32-86(74)96(3,4)90(78)58-70)67-47-53-81-83(55-67)93(65-39-35-63(36-40-65)61-23-11-9-12-24-61)82-54-48-68(56-84(82)94(81)66-41-37-64(38-42-66)62-25-13-10-14-26-62)100(71-45-51-79-75-29-17-21-33-87(75)97(5,6)91(79)59-71)72-46-52-80-76-30-18-22-34-88(76)98(7,8)92(80)60-72/h9-21,23-33,35-60H,22,34H2,1-8H3
InChIKeyWJGKMENBVUZPQQ-UHFFFAOYSA-N
MW1283.72 g/mol
LogP26.91
Rot. Bonds10

About 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

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 (PubChem CID 89189585) has the molecular formula C98H78N2 and a molecular weight of 1283.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID89189585
Molecular FormulaC98H78N2
Molecular Weight1283.72 g/mol
Exact Mass1282.62
IUPAC Name2-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
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5ccc(-c6ccccc6)cc5)c4c3)cc21
InChIInChI=1S/C98H78N2/c1-95(2)85-31-19-15-27-73(85)77-49-43-69(57-89(77)95)99(70-44-50-78-74-28-16-20-32-86(74)96(3,4)90(78)58-70)67-47-53-81-83(55-67)93(65-39-35-63(36-40-65)61-23-11-9-12-24-61)82-54-48-68(56-84(82)94(81)66-41-37-64(38-42-66)62-25-13-10-14-26-62)100(71-45-51-79-75-29-17-21-33-87(75)97(5,6)91(79)59-71)72-46-52-80-76-30-18-22-34-88(76)98(7,8)92(80)60-72/h9-21,23-33,35-60H,22,34H2,1-8H3
InChIKeyWJGKMENBVUZPQQ-UHFFFAOYSA-N
XLogP26.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.72
LogP ≤ 526.91
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-(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 with MolForge

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Related Compounds

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
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
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
CID 153357644
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
2-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,10-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 122663765
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-7,8-dihydrofluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
CID 167219072
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 142480985
9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 159307663
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 145331604

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5ccc(-c6ccccc6)cc5)c4c3)cc21.
What is the InChIKey of 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?
The InChIKey is WJGKMENBVUZPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H78N2/c1-95(2)85-31-19-15-27-73(85)77-49-43-69(57-89(77)95)99(70-44-50-78-74-28-16-20-32-86(74)96(3,4)90(78)58-70)67-47-53-81-83(55-67)93(65-39-35-63(36-40-65)61-23-11-9-12-24-61)82-54-48-68(56-84(82)94(81)66-41-37-64(38-42-66)62-25-13-10-14-26-62)100(71-45-51-79-75-29-17-21-33-87(75)97(5,6)91(79)59-71)72-46-52-80-76-30-18-22-34-88(76)98(7,8)92(80)60-72/h9-21,23-33,35-60H,22,34H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1283.72 g/mol, XLogP of 26.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89189585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).