N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

C54H42N2 — CID 166711291

IUPACN-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(C3=CCC(C4=CCC5Cc6c(c7cccc8c9ccccc9c6n78)C5=C4)C=C3)c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C54H42N2/c1-54(2)46-17-9-8-16-43(46)52-47(54)18-10-20-50(52)55(39-28-24-35(25-29-39)34-12-4-3-5-13-34)40-30-26-36(27-31-40)37-22-23-38-33-45-51(44(38)32-37)49-21-11-19-48-41-14-6-7-15-42(41)53(45)56(48)49/h3-22,24-26,28-32,36,38H,23,27,33H2,1-2H3
InChIKeyPLDMPKFWCHQVCM-UHFFFAOYSA-N
MW718.94 g/mol
LogP13.84
Rot. Bonds5

About N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 166711291) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID166711291
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC NameN-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(C3=CCC(C4=CCC5Cc6c(c7cccc8c9ccccc9c6n78)C5=C4)C=C3)c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C54H42N2/c1-54(2)46-17-9-8-16-43(46)52-47(54)18-10-20-50(52)55(39-28-24-35(25-29-39)34-12-4-3-5-13-34)40-30-26-36(27-31-40)37-22-23-38-33-45-51(44(38)32-37)49-21-11-19-48-41-14-6-7-15-42(41)53(45)56(48)49/h3-22,24-26,28-32,36,38H,23,27,33H2,1-2H3
InChIKeyPLDMPKFWCHQVCM-UHFFFAOYSA-N
XLogP13.84
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine
CID 145354326
9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine
CID 162073988
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-4-amine
CID 121358632
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine
CID 145354496
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437

Frequently Asked Questions

What is the IUPAC name of N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (CID 166711291) is N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(C3=CCC(C4=CCC5Cc6c(c7cccc8c9ccccc9c6n78)C5=C4)C=C3)c3ccc(-c4ccccc4)cc3)cccc21.
What is the InChIKey of N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is PLDMPKFWCHQVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-54(2)46-17-9-8-16-43(46)52-47(54)18-10-20-50(52)55(39-28-24-35(25-29-39)34-12-4-3-5-13-34)40-30-26-36(27-31-40)37-22-23-38-33-45-51(44(38)32-37)49-21-11-19-48-41-14-6-7-15-42(41)53(45)56(48)49/h3-22,24-26,28-32,36,38H,23,27,33H2,1-2H3.
What are the key properties of N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 718.94 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(22-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16-nonaen-16-yl)cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 166711291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).