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

C62H56N2 — CID 144726282

IUPAC8-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
SMILESCC.CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3CC4)cc21
InChIInChI=1S/C60H50N2.C2H6/c1-59(2)53-25-15-13-21-47(53)49-33-30-44(37-55(49)59)61(41-17-7-5-8-18-41)43-29-32-46-39(35-43)27-28-40-36-57(51-23-11-12-24-52(51)58(40)46)62(42-19-9-6-10-20-42)45-31-34-50-48-22-14-16-26-54(48)60(3,4)56(50)38-45;1-2/h5-15,17-25,29-38H,16,26-28H2,1-4H3;1-2H3
InChIKeyZIVLRACPTRPFFM-UHFFFAOYSA-N
MW829.14 g/mol
LogP17.27
Rot. Bonds6

About 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

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 (PubChem CID 144726282) has the molecular formula C62H56N2 and a molecular weight of 829.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID144726282
Molecular FormulaC62H56N2
Molecular Weight829.14 g/mol
Exact Mass828.44
IUPAC Name8-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
SMILESCC.CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3CC4)cc21
InChIInChI=1S/C60H50N2.C2H6/c1-59(2)53-25-15-13-21-47(53)49-33-30-44(37-55(49)59)61(41-17-7-5-8-18-41)43-29-32-46-39(35-43)27-28-40-36-57(51-23-11-12-24-52(51)58(40)46)62(42-19-9-6-10-20-42)45-31-34-50-48-22-14-16-26-54(48)60(3,4)56(50)38-45;1-2/h5-15,17-25,29-38H,16,26-28H2,1-4H3;1-2H3
InChIKeyZIVLRACPTRPFFM-UHFFFAOYSA-N
XLogP17.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.14
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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
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
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
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine
CID 70894315
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
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-[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
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-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3CC4)cc21.
What is the InChIKey of 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?
The InChIKey is ZIVLRACPTRPFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N2.C2H6/c1-59(2)53-25-15-13-21-47(53)49-33-30-44(37-55(49)59)61(41-17-7-5-8-18-41)43-29-32-46-39(35-43)27-28-40-36-57(51-23-11-12-24-52(51)58(40)46)62(42-19-9-6-10-20-42)45-31-34-50-48-22-14-16-26-54(48)60(3,4)56(50)38-45;1-2/h5-15,17-25,29-38H,16,26-28H2,1-4H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 829.14 g/mol, XLogP of 17.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144726282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).