17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

C57H40N2 — CID 122599868

IUPAC17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c5c6c7ccc(-c8ccccc8)cc7n(-c7ccccc7)c6c(-c6ccccc6)cc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C57H40N2/c1-57(2)49-26-16-15-25-44(49)45-30-27-39(33-50(45)57)41-29-31-46-51(35-41)58(42-21-11-5-12-22-42)53-36-48(38-19-9-4-10-20-38)56-55(54(46)53)47-32-28-40(37-17-7-3-8-18-37)34-52(47)59(56)43-23-13-6-14-24-43/h3-36H,1-2H3
InChIKeyYHJPGZXQAKTGQG-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.19
Rot. Bonds5

About 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (PubChem CID 122599868) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
PubChem CID122599868
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c5c6c7ccc(-c8ccccc8)cc7n(-c7ccccc7)c6c(-c6ccccc6)cc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C57H40N2/c1-57(2)49-26-16-15-25-44(49)45-30-27-39(33-50(45)57)41-29-31-46-51(35-41)58(42-21-11-5-12-22-42)53-36-48(38-19-9-4-10-20-38)56-55(54(46)53)47-32-28-40(37-17-7-3-8-18-37)34-52(47)59(56)43-23-13-6-14-24-43/h3-36H,1-2H3
InChIKeyYHJPGZXQAKTGQG-UHFFFAOYSA-N
XLogP15.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene with MolForge

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)-15-phenyl-10-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123512270
2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 142754174
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 145370486
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009715
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
CID 167527111

Frequently Asked Questions

What is the IUPAC name of 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The IUPAC name of 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (CID 122599868) is 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.
What is the SMILES notation for 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The canonical SMILES for 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c5c6c7ccc(-c8ccccc8)cc7n(-c7ccccc7)c6c(-c6ccccc6)cc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The InChIKey is YHJPGZXQAKTGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)49-26-16-15-25-44(49)45-30-27-39(33-50(45)57)41-29-31-46-51(35-41)58(42-21-11-5-12-22-42)53-36-48(38-19-9-4-10-20-38)56-55(54(46)53)47-32-28-40(37-17-7-3-8-18-37)34-52(47)59(56)43-23-13-6-14-24-43/h3-36H,1-2H3.
What are the key properties of 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene has a molecular weight of 752.96 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is sourced from PubChem (CID 122599868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).