N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C52H37N3 — CID 139516441

IUPACN-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5nc6cccc7c6n5-c5ccccc5-c5ccccc5-7)c4)c3)cc21
InChIInChI=1S/C52H37N3/c1-52(2)46-26-10-8-23-42(46)43-30-29-39(33-47(43)52)54(37-18-4-3-5-19-37)38-20-13-16-35(32-38)34-15-12-17-36(31-34)51-53-48-27-14-25-45-41-22-7-6-21-40(41)44-24-9-11-28-49(44)55(51)50(45)48/h3-33H,1-2H3
InChIKeyXUADLMYUEAOWHV-UHFFFAOYSA-N
MW703.89 g/mol
LogP13.78
Rot. Bonds5

About N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 139516441) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID139516441
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC NameN-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5nc6cccc7c6n5-c5ccccc5-c5ccccc5-7)c4)c3)cc21
InChIInChI=1S/C52H37N3/c1-52(2)46-26-10-8-23-42(46)43-30-29-39(33-47(43)52)54(37-18-4-3-5-19-37)38-20-13-16-35(32-38)34-15-12-17-36(31-34)51-53-48-27-14-25-45-41-22-7-6-21-40(41)44-24-9-11-28-49(44)55(51)50(45)48/h3-33H,1-2H3
InChIKeyXUADLMYUEAOWHV-UHFFFAOYSA-N
XLogP13.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine with MolForge

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Related Compounds

N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]fluoren-2-amine
CID 129062191
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 142607235
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393624
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine
CID 170653015
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 139516441) is N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5nc6cccc7c6n5-c5ccccc5-c5ccccc5-7)c4)c3)cc21.
What is the InChIKey of N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is XUADLMYUEAOWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-52(2)46-26-10-8-23-42(46)43-30-29-39(33-47(43)52)54(37-18-4-3-5-19-37)38-20-13-16-35(32-38)34-15-12-17-36(31-34)51-53-48-27-14-25-45-41-22-7-6-21-40(41)44-24-9-11-28-49(44)55(51)50(45)48/h3-33H,1-2H3.
What are the key properties of N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 703.89 g/mol, XLogP of 13.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-15-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 139516441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).