9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine

C59H42N2O — CID 170369388

IUPAC9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine
SMILESCC1(C)C2=CCCC=C2c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c(-c6cc7ccccc7c7ccccc67)c6c(cc54)oc4ccccc46)cc3)cc21
InChIInChI=1S/C59H42N2O/c1-59(2)50-25-13-10-22-45(50)46-33-32-41(35-51(46)59)60(38-17-4-3-5-18-38)39-28-30-40(31-29-39)61-52-26-14-11-23-47(52)56-53(61)36-55-57(48-24-12-15-27-54(48)62-55)58(56)49-34-37-16-6-7-19-42(37)43-20-8-9-21-44(43)49/h3-9,11-12,14-36H,10,13H2,1-2H3
InChIKeyCKVXBRKEDMMIIX-UHFFFAOYSA-N
MW795.00 g/mol
LogP16.52
Rot. Bonds5

About 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine

9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine (PubChem CID 170369388) has the molecular formula C59H42N2O and a molecular weight of 795.00 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine
PubChem CID170369388
Molecular FormulaC59H42N2O
Molecular Weight795.00 g/mol
Exact Mass794.33
IUPAC Name9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine
SMILESCC1(C)C2=CCCC=C2c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c(-c6cc7ccccc7c7ccccc67)c6c(cc54)oc4ccccc46)cc3)cc21
InChIInChI=1S/C59H42N2O/c1-59(2)50-25-13-10-22-45(50)46-33-32-41(35-51(46)59)60(38-17-4-3-5-18-38)39-28-30-40(31-29-39)61-52-26-14-11-23-47(52)56-53(61)36-55-57(48-24-12-15-27-54(48)62-55)58(56)49-34-37-16-6-7-19-42(37)43-20-8-9-21-44(43)49/h3-9,11-12,14-36H,10,13H2,1-2H3
InChIKeyCKVXBRKEDMMIIX-UHFFFAOYSA-N
XLogP16.52
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine with MolForge

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Related Compounds

N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170368951
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
9,9-dimethyl-N-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118405419
9,9-dimethyl-N-[4-(25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-26-yl)phenyl]-N-phenylfluoren-2-amine
CID 163811679
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine
CID 177281213
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine
CID 137483501
7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377031
N-[4-(12-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyltriphenylen-2-amine
CID 170369049
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine (CID 170369388) is 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine is CC1(C)C2=CCCC=C2c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c(-c6cc7ccccc7c7ccccc67)c6c(cc54)oc4ccccc46)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine?
The InChIKey is CKVXBRKEDMMIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O/c1-59(2)50-25-13-10-22-45(50)46-33-32-41(35-51(46)59)60(38-17-4-3-5-18-38)39-28-30-40(31-29-39)61-52-26-14-11-23-47(52)56-53(61)36-55-57(48-24-12-15-27-54(48)62-55)58(56)49-34-37-16-6-7-19-42(37)43-20-8-9-21-44(43)49/h3-9,11-12,14-36H,10,13H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine?
9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine has a molecular weight of 795.00 g/mol, XLogP of 16.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(12-phenanthren-9-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyl-6,7-dihydrofluoren-2-amine is sourced from PubChem (CID 170369388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).