9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine

C49H35NO — CID 155105845

IUPAC9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3c(-c4ccccc4)oc4c5ccccc5c5ccccc5c34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C49H35NO/c1-49(2)43-30-33(26-28-39(43)40-29-27-36(31-44(40)49)50(34-18-8-4-9-19-34)35-20-10-5-11-21-35)45-46-41-24-14-12-22-37(41)38-23-13-15-25-42(38)48(46)51-47(45)32-16-6-3-7-17-32/h3-31H,1-2H3
InChIKeyRYSQLYBLECQHCJ-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About 9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine

9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine (PubChem CID 155105845) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine
PubChem CID155105845
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC Name9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3c(-c4ccccc4)oc4c5ccccc5c5ccccc5c34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C49H35NO/c1-49(2)43-30-33(26-28-39(43)40-29-27-36(31-44(40)49)50(34-18-8-4-9-19-34)35-20-10-5-11-21-35)45-46-41-24-14-12-22-37(41)38-23-13-15-25-42(38)48(46)51-47(45)32-16-6-3-7-17-32/h3-31H,1-2H3
InChIKeyRYSQLYBLECQHCJ-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
9,9-dimethyl-N-[4-(19-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433694
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
N-(9,9-dimethylfluoren-2-yl)-N,19-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
CID 171433144
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-dimethyl-N-[4-(16-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433044
9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58050385
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964088
N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964102
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine (CID 155105845) is 9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine is CC1(C)c2cc(-c3c(-c4ccccc4)oc4c5ccccc5c5ccccc5c34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine?
The InChIKey is RYSQLYBLECQHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)43-30-33(26-28-39(43)40-29-27-36(31-44(40)49)50(34-18-8-4-9-19-34)35-20-10-5-11-21-35)45-46-41-24-14-12-22-37(41)38-23-13-15-25-42(38)48(46)51-47(45)32-16-6-3-7-17-32/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine?
9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,N-diphenyl-7-(2-phenylphenanthro[9,10-b]furan-3-yl)fluoren-2-amine is sourced from PubChem (CID 155105845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).