3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

C64H50FN3 — CID 171404296

IUPAC3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c8ccccc8n(-c8ccc(F)cc8)c7c6)CC3CCC5C4)cc21
InChIInChI=1S/C64H50FN3/c1-63(2)55-23-11-9-21-51(55)52-35-33-49(39-56(52)63)66(46-17-5-3-6-18-46)58-25-13-15-41-37-43-27-28-44-38-42-16-14-26-59(62(42)64(43,44)61(41)58)67(47-19-7-4-8-20-47)50-34-36-54-53-22-10-12-24-57(53)68(60(54)40-50)48-31-29-45(65)30-32-48/h3-26,29-36,39-40,43-44H,27-28,37-38H2,1-2H3
InChIKeyYIYOCOSIWDVMRY-UHFFFAOYSA-N
MW880.12 g/mol
LogP16.59
Rot. Bonds7

About 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (PubChem CID 171404296) has the molecular formula C64H50FN3 and a molecular weight of 880.12 g/mol. Its IUPAC name is 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.

Molecular Properties

Compound Name3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
PubChem CID171404296
Molecular FormulaC64H50FN3
Molecular Weight880.12 g/mol
Exact Mass879.40
IUPAC Name3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c8ccccc8n(-c8ccc(F)cc8)c7c6)CC3CCC5C4)cc21
InChIInChI=1S/C64H50FN3/c1-63(2)55-23-11-9-21-51(55)52-35-33-49(39-56(52)63)66(46-17-5-3-6-18-46)58-25-13-15-41-37-43-27-28-44-38-42-16-14-26-59(62(42)64(43,44)61(41)58)67(47-19-7-4-8-20-47)50-34-36-54-53-22-10-12-24-57(53)68(60(54)40-50)48-31-29-45(65)30-32-48/h3-26,29-36,39-40,43-44H,27-28,37-38H2,1-2H3
InChIKeyYIYOCOSIWDVMRY-UHFFFAOYSA-N
XLogP16.59
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.12
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine with MolForge

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Related Compounds

18-N-[2-(4-cyclohexylphenyl)phenyl]-3-N,18-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404182
9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine
CID 135129010
21-N-(9,9-dimethylfluoren-2-yl)-3-N,21-N-diphenyl-3-N-[4-(2-phenylphenyl)phenyl]pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2(7),3,5,17(22),18,20-hexaene-3,21-diamine
CID 171404226
3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404138
N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59171791
9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine
CID 156664796
N-(4-carbazol-9-ylphenyl)-9-(4-fluorophenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine;9-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine
CID 159397128
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
20-N-(9,9-dimethylfluoren-2-yl)-3-N,20-N-diphenyl-3-N-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[12.7.0.01,9.02,7.016,21]henicosa-2(7),3,5,16(21),17,19-hexaene-3,20-diamine
CID 171404331
N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine
CID 138549073

Frequently Asked Questions

What is the IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (CID 171404296) is 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.
What is the SMILES notation for 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The canonical SMILES for 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c8ccccc8n(-c8ccc(F)cc8)c7c6)CC3CCC5C4)cc21.
What is the InChIKey of 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The InChIKey is YIYOCOSIWDVMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50FN3/c1-63(2)55-23-11-9-21-51(55)52-35-33-49(39-56(52)63)66(46-17-5-3-6-18-46)58-25-13-15-41-37-43-27-28-44-38-42-16-14-26-59(62(42)64(43,44)61(41)58)67(47-19-7-4-8-20-47)50-34-36-54-53-22-10-12-24-57(53)68(60(54)40-50)48-31-29-45(65)30-32-48/h3-26,29-36,39-40,43-44H,27-28,37-38H2,1-2H3.
What are the key properties of 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine has a molecular weight of 880.12 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-2-yl]-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is sourced from PubChem (CID 171404296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).