9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine

C56H40N4 — CID 157461439

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6nc7ccccc7n6cc4n5-c4ccccc4)cc3)cccc21
InChIInChI=1S/C56H40N4/c1-56(2)47-19-10-9-18-44(47)55-48(56)20-13-23-52(55)59(42-29-24-38(25-30-42)37-14-5-3-6-15-37)43-31-26-39(27-32-43)40-28-33-50-45(34-40)46-35-54-57-49-21-11-12-22-51(49)58(54)36-53(46)60(50)41-16-7-4-8-17-41/h3-36H,1-2H3
InChIKeyBTYYEXHSQMYZKI-UHFFFAOYSA-N
MW768.96 g/mol
LogP14.69
Rot. Bonds6

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine (PubChem CID 157461439) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine
PubChem CID157461439
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6nc7ccccc7n6cc4n5-c4ccccc4)cc3)cccc21
InChIInChI=1S/C56H40N4/c1-56(2)47-19-10-9-18-44(47)55-48(56)20-13-23-52(55)59(42-29-24-38(25-30-42)37-14-5-3-6-15-37)43-31-26-39(27-32-43)40-28-33-50-45(34-40)46-35-54-57-49-21-11-12-22-51(49)58(54)36-53(46)60(50)41-16-7-4-8-17-41/h3-36H,1-2H3
InChIKeyBTYYEXHSQMYZKI-UHFFFAOYSA-N
XLogP14.69
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine
CID 142427212
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
CID 126702904
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine
CID 140910652
N-(9,9-dimethylfluoren-4-yl)-15,15-dimethyl-11-phenyl-N-(4-phenylphenyl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-amine
CID 135273915
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138484635
N-(9,9-dimethylfluoren-4-yl)-6-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169060749

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine (CID 157461439) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6nc7ccccc7n6cc4n5-c4ccccc4)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine?
The InChIKey is BTYYEXHSQMYZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4/c1-56(2)47-19-10-9-18-44(47)55-48(56)20-13-23-52(55)59(42-29-24-38(25-30-42)37-14-5-3-6-15-37)43-31-26-39(27-32-43)40-28-33-50-45(34-40)46-35-54-57-49-21-11-12-22-51(49)58(54)36-53(46)60(50)41-16-7-4-8-17-41/h3-36H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine has a molecular weight of 768.96 g/mol, XLogP of 14.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 157461439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).