N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine

C71H49N3 — CID 163646007

IUPACN-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine
SMILESCc1cccc(-c2ccccc2Cc2ccccc2)c1N(c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3cc4ccccc4cc3c3cc4ccccc4cc32)c1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C71H49N3/c1-46-18-17-31-64(60-28-12-9-25-52(60)36-47-19-3-2-4-20-47)71(46)72(55-34-35-61-54(38-55)37-53-26-10-11-27-59(53)61)56-43-57(73-67-32-15-13-29-62(67)63-30-14-16-33-68(63)73)45-58(44-56)74-69-41-50-23-7-5-21-48(50)39-65(69)66-40-49-22-6-8-24-51(49)42-70(66)74/h2-35,38-45H,36-37H2,1H3
InChIKeyIIGQSNYIFAJNNE-UHFFFAOYSA-N
MW944.19 g/mol
LogP18.79
Rot. Bonds8

About N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine

N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine (PubChem CID 163646007) has the molecular formula C71H49N3 and a molecular weight of 944.19 g/mol. Its IUPAC name is N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine.

Molecular Properties

Compound NameN-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine
PubChem CID163646007
Molecular FormulaC71H49N3
Molecular Weight944.19 g/mol
Exact Mass943.39
IUPAC NameN-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine
SMILESCc1cccc(-c2ccccc2Cc2ccccc2)c1N(c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3cc4ccccc4cc3c3cc4ccccc4cc32)c1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C71H49N3/c1-46-18-17-31-64(60-28-12-9-25-52(60)36-47-19-3-2-4-20-47)71(46)72(55-34-35-61-54(38-55)37-53-26-10-11-27-59(53)61)56-43-57(73-67-32-15-13-29-62(67)63-30-14-16-33-68(63)73)45-58(44-56)74-69-41-50-23-7-5-21-48(50)39-65(69)66-40-49-22-6-8-24-51(49)42-70(66)74/h2-35,38-45H,36-37H2,1H3
InChIKeyIIGQSNYIFAJNNE-UHFFFAOYSA-N
XLogP18.79
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.19
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine?
The IUPAC name of N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine (CID 163646007) is N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine.
What is the SMILES notation for N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine?
The canonical SMILES for N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine is Cc1cccc(-c2ccccc2Cc2ccccc2)c1N(c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3cc4ccccc4cc3c3cc4ccccc4cc32)c1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine?
The InChIKey is IIGQSNYIFAJNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49N3/c1-46-18-17-31-64(60-28-12-9-25-52(60)36-47-19-3-2-4-20-47)71(46)72(55-34-35-61-54(38-55)37-53-26-10-11-27-59(53)61)56-43-57(73-67-32-15-13-29-62(67)63-30-14-16-33-68(63)73)45-58(44-56)74-69-41-50-23-7-5-21-48(50)39-65(69)66-40-49-22-6-8-24-51(49)42-70(66)74/h2-35,38-45H,36-37H2,1H3.
What are the key properties of N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine?
N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine has a molecular weight of 944.19 g/mol, XLogP of 18.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-5-carbazol-9-ylphenyl]-N-[2-(2-benzylphenyl)-6-methylphenyl]-9H-fluoren-2-amine is sourced from PubChem (CID 163646007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).