2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine

C59H40N2O2 — CID 89295879

IUPAC2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H40N2O2/c1-59(2)52-33-39(60(41-26-30-50-48-20-10-12-22-55(48)62-57(50)35-41)42-27-31-51-49-21-11-13-23-56(49)63-58(51)36-42)24-28-45(52)46-29-25-40(34-53(46)59)61(38-15-4-3-5-16-38)54-32-37-14-6-7-17-43(37)44-18-8-9-19-47(44)54/h3-36H,1-2H3
InChIKeyUEIJNLDIJSMVFL-UHFFFAOYSA-N
MW808.98 g/mol
LogP17.04
Rot. Bonds6

About 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine

2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine (PubChem CID 89295879) has the molecular formula C59H40N2O2 and a molecular weight of 808.98 g/mol. Its IUPAC name is 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine
PubChem CID89295879
Molecular FormulaC59H40N2O2
Molecular Weight808.98 g/mol
Exact Mass808.31
IUPAC Name2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H40N2O2/c1-59(2)52-33-39(60(41-26-30-50-48-20-10-12-22-55(48)62-57(50)35-41)42-27-31-51-49-21-11-13-23-56(49)63-58(51)36-42)24-28-45(52)46-29-25-40(34-53(46)59)61(38-15-4-3-5-16-38)54-32-37-14-6-7-17-43(37)44-18-8-9-19-47(44)54/h3-36H,1-2H3
InChIKeyUEIJNLDIJSMVFL-UHFFFAOYSA-N
XLogP17.04
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.98
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 158392246
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 158564276
N-chrysen-5-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 170140140
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenanthren-9-amine
CID 164843697
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 159623488
N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 121400530
N-phenyl-N-(10,10,11,11-tetramethyl-7-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,15,17,19,21-decaenyl)dibenzofuran-3-amine
CID 163519597
6-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-N-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine;N-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-2-amine;4-N-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine;N-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 161223475
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine
CID 130290139
N-[4-[4-(N-dibenzofuran-2-ylanilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-dibenzofuran-2-yl-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)fluorene-2,7-diamine;N-[4-[4-[4-[dibenzofuran-3-yl(phenanthren-9-yl)amino]phenyl]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-3-amine;N-[4-[4-[4-[dibenzofuran-4-yl(phenanthren-9-yl)amino]phenyl]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-4-amine
CID 158078970
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine?
The IUPAC name of 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine (CID 89295879) is 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine?
The canonical SMILES for 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine is CC1(C)c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine?
The InChIKey is UEIJNLDIJSMVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O2/c1-59(2)52-33-39(60(41-26-30-50-48-20-10-12-22-55(48)62-57(50)35-41)42-27-31-51-49-21-11-13-23-56(49)63-58(51)36-42)24-28-45(52)46-29-25-40(34-53(46)59)61(38-15-4-3-5-16-38)54-32-37-14-6-7-17-43(37)44-18-8-9-19-47(44)54/h3-36H,1-2H3.
What are the key properties of 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine?
2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine has a molecular weight of 808.98 g/mol, XLogP of 17.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine is sourced from PubChem (CID 89295879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).