9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C67H44 — CID 159713563

IUPAC9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESc1ccc(-c2ccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)-c5c(ccc7c5-c5ccccc5C7(c5ccccc5)c5ccccc5)C6c5cccc6ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C67H44/c1-4-17-43(18-5-1)44-31-33-46(34-32-44)63-54-27-13-12-26-52(54)59-41-47(35-37-55(59)63)48-36-38-56-60(42-48)65-58(64(56)53-29-16-20-45-19-10-11-25-51(45)53)39-40-62-66(65)57-28-14-15-30-61(57)67(62,49-21-6-2-7-22-49)50-23-8-3-9-24-50/h1-42,63-64H
InChIKeyBSBSOHSZCRNDBC-UHFFFAOYSA-N
MW849.09 g/mol
LogP16.86
Rot. Bonds6

About 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 159713563) has the molecular formula C67H44 and a molecular weight of 849.09 g/mol. Its IUPAC name is 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID159713563
Molecular FormulaC67H44
Molecular Weight849.09 g/mol
Exact Mass848.34
IUPAC Name9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESc1ccc(-c2ccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)-c5c(ccc7c5-c5ccccc5C7(c5ccccc5)c5ccccc5)C6c5cccc6ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C67H44/c1-4-17-43(18-5-1)44-31-33-46(34-32-44)63-54-27-13-12-26-52(54)59-41-47(35-37-55(59)63)48-36-38-56-60(42-48)65-58(64(56)53-29-16-20-45-19-10-11-25-51(45)53)39-40-62-66(65)57-28-14-15-30-61(57)67(62,49-21-6-2-7-22-49)50-23-8-3-9-24-50/h1-42,63-64H
InChIKeyBSBSOHSZCRNDBC-UHFFFAOYSA-N
XLogP16.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.09
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene
CID 159865494
9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene
CID 123329963
18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 158525252
9-naphthalen-2-yl-5-(9-naphthalen-1-yl-9H-fluoren-3-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158152291
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150875
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene
CID 159290426
1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene
CID 170073483
3,9,9-triphenylfluorene
CID 140844354
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159880784

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 159713563) is 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is c1ccc(-c2ccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)-c5c(ccc7c5-c5ccccc5C7(c5ccccc5)c5ccccc5)C6c5cccc6ccccc56)ccc43)cc2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is BSBSOHSZCRNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44/c1-4-17-43(18-5-1)44-31-33-46(34-32-44)63-54-27-13-12-26-52(54)59-41-47(35-37-55(59)63)48-36-38-56-60(42-48)65-58(64(56)53-29-16-20-45-19-10-11-25-51(45)53)39-40-62-66(65)57-28-14-15-30-61(57)67(62,49-21-6-2-7-22-49)50-23-8-3-9-24-50/h1-42,63-64H.
What are the key properties of 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 849.09 g/mol, XLogP of 16.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 159713563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).