3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene

C292H178 — CID 162198422

IUPAC3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
SMILESc1ccc(-c2ccc(-c3c4c(c(-c5ccc(-c6ccccc6)cc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc35)-c3ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccc(-c7ccccc7)cc6)c6cc(-c7ccccc7)c(-c7ccccc7)cc6c5-c5ccc(-c6ccccc6)cc5)c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc(-c3c4c(c(-c5ccccc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc(-c8ccccc8)cc7)c7cc(-c8ccccc8)c(-c8ccccc8)cc7c6-c6ccccc6)ccc-4c35)cc2)cc1.c1ccc2cc(-c3c4c(c(-c5cccc6ccccc56)c5ccccc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc8ccccc8c7)c7ccccc7c6-c6cccc7ccccc67)ccc-4c35)ccc2c1
InChIInChI=1S/C112H70.C100H62.C80H46/c1-9-27-71(28-10-1)75-47-55-83(56-48-75)103-99-67-95(79-35-17-5-18-36-79)97(81-39-21-7-22-40-81)69-101(99)105(85-59-51-77(52-60-85)73-31-13-3-14-32-73)111-93-65-63-87(89-43-25-45-91(107(89)93)109(103)111)88-64-66-94-108-90(88)44-26-46-92(108)110-104(84-57-49-76(50-58-84)72-29-11-2-12-30-72)100-68-96(80-37-19-6-20-38-80)98(82-41-23-8-24-42-82)70-102(100)106(112(94)110)86-61-53-78(54-62-86)74-33-15-4-16-34-74;1-9-27-63(28-10-1)65-47-51-73(52-48-65)93-89-61-85(69-35-17-5-18-36-69)83(67-31-13-3-14-32-67)59-87(89)91(71-39-21-7-22-40-71)97-79-45-25-43-77-75(55-57-81(95(77)79)99(93)97)76-56-58-82-96-78(76)44-26-46-80(96)98-92(72-41-23-8-24-42-72)88-60-84(68-33-15-4-16-34-68)86(70-37-19-6-20-38-70)62-90(88)94(100(82)98)74-53-49-66(50-54-74)64-29-11-2-12-30-64;1-3-21-51-45-53(39-37-47(51)17-1)71-63-27-9-11-29-65(63)75(59-31-13-23-49-19-5-7-25-55(49)59)79-67-35-15-33-61-57(41-43-69(73(61)67)77(71)79)58-42-44-70-74-62(58)34-16-36-68(74)80-76(60-32-14-24-50-20-6-8-26-56(50)60)66-30-12-10-28-64(66)72(78(70)80)54-40-38-48-18-2-4-22-52(48)46-54/h1-70H;1-62H;1-46H
InChIKeyZRGIQFDIVWAHRR-UHFFFAOYSA-N
MW3686.64 g/mol
LogP81.74
Rot. Bonds29

About 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene

3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene (PubChem CID 162198422) has the molecular formula C292H178 and a molecular weight of 3686.64 g/mol. Its IUPAC name is 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene.

Molecular Properties

Compound Name3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
PubChem CID162198422
Molecular FormulaC292H178
Molecular Weight3686.64 g/mol
Exact Mass3683.39
IUPAC Name3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
SMILESc1ccc(-c2ccc(-c3c4c(c(-c5ccc(-c6ccccc6)cc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc35)-c3ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccc(-c7ccccc7)cc6)c6cc(-c7ccccc7)c(-c7ccccc7)cc6c5-c5ccc(-c6ccccc6)cc5)c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc(-c3c4c(c(-c5ccccc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc(-c8ccccc8)cc7)c7cc(-c8ccccc8)c(-c8ccccc8)cc7c6-c6ccccc6)ccc-4c35)cc2)cc1.c1ccc2cc(-c3c4c(c(-c5cccc6ccccc56)c5ccccc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc8ccccc8c7)c7ccccc7c6-c6cccc7ccccc67)ccc-4c35)ccc2c1
InChIInChI=1S/C112H70.C100H62.C80H46/c1-9-27-71(28-10-1)75-47-55-83(56-48-75)103-99-67-95(79-35-17-5-18-36-79)97(81-39-21-7-22-40-81)69-101(99)105(85-59-51-77(52-60-85)73-31-13-3-14-32-73)111-93-65-63-87(89-43-25-45-91(107(89)93)109(103)111)88-64-66-94-108-90(88)44-26-46-92(108)110-104(84-57-49-76(50-58-84)72-29-11-2-12-30-72)100-68-96(80-37-19-6-20-38-80)98(82-41-23-8-24-42-82)70-102(100)106(112(94)110)86-61-53-78(54-62-86)74-33-15-4-16-34-74;1-9-27-63(28-10-1)65-47-51-73(52-48-65)93-89-61-85(69-35-17-5-18-36-69)83(67-31-13-3-14-32-67)59-87(89)91(71-39-21-7-22-40-71)97-79-45-25-43-77-75(55-57-81(95(77)79)99(93)97)76-56-58-82-96-78(76)44-26-46-80(96)98-92(72-41-23-8-24-42-72)88-60-84(68-33-15-4-16-34-68)86(70-37-19-6-20-38-70)62-90(88)94(100(82)98)74-53-49-66(50-54-74)64-29-11-2-12-30-64;1-3-21-51-45-53(39-37-47(51)17-1)71-63-27-9-11-29-65(63)75(59-31-13-23-49-19-5-7-25-55(49)59)79-67-35-15-33-61-57(41-43-69(73(61)67)77(71)79)58-42-44-70-74-62(58)34-16-36-68(74)80-76(60-32-14-24-50-20-6-8-26-56(50)60)66-30-12-10-28-64(66)72(78(70)80)54-40-38-48-18-2-4-22-52(48)46-54/h1-70H;1-62H;1-46H
InChIKeyZRGIQFDIVWAHRR-UHFFFAOYSA-N
XLogP81.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms292
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003686.64
LogP ≤ 581.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene?
The IUPAC name of 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene (CID 162198422) is 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene.
What is the SMILES notation for 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene?
The canonical SMILES for 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene is c1ccc(-c2ccc(-c3c4c(c(-c5ccc(-c6ccccc6)cc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc35)-c3ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccc(-c7ccccc7)cc6)c6cc(-c7ccccc7)c(-c7ccccc7)cc6c5-c5ccc(-c6ccccc6)cc5)c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc(-c3c4c(c(-c5ccccc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc(-c8ccccc8)cc7)c7cc(-c8ccccc8)c(-c8ccccc8)cc7c6-c6ccccc6)ccc-4c35)cc2)cc1.c1ccc2cc(-c3c4c(c(-c5cccc6ccccc56)c5ccccc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc8ccccc8c7)c7ccccc7c6-c6cccc7ccccc67)ccc-4c35)ccc2c1.
What is the InChIKey of 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene?
The InChIKey is ZRGIQFDIVWAHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H70.C100H62.C80H46/c1-9-27-71(28-10-1)75-47-55-83(56-48-75)103-99-67-95(79-35-17-5-18-36-79)97(81-39-21-7-22-40-81)69-101(99)105(85-59-51-77(52-60-85)73-31-13-3-14-32-73)111-93-65-63-87(89-43-25-45-91(107(89)93)109(103)111)88-64-66-94-108-90(88)44-26-46-92(108)110-104(84-57-49-76(50-58-84)72-29-11-2-12-30-72)100-68-96(80-37-19-6-20-38-80)98(82-41-23-8-24-42-82)70-102(100)106(112(94)110)86-61-53-78(54-62-86)74-33-15-4-16-34-74;1-9-27-63(28-10-1)65-47-51-73(52-48-65)93-89-61-85(69-35-17-5-18-36-69)83(67-31-13-3-14-32-67)59-87(89)91(71-39-21-7-22-40-71)97-79-45-25-43-77-75(55-57-81(95(77)79)99(93)97)76-56-58-82-96-78(76)44-26-46-80(96)98-92(72-41-23-8-24-42-72)88-60-84(68-33-15-4-16-34-68)86(70-37-19-6-20-38-70)62-90(88)94(100(82)98)74-53-49-66(50-54-74)64-29-11-2-12-30-64;1-3-21-51-45-53(39-37-47(51)17-1)71-63-27-9-11-29-65(63)75(59-31-13-23-49-19-5-7-25-55(49)59)79-67-35-15-33-61-57(41-43-69(73(61)67)77(71)79)58-42-44-70-74-62(58)34-16-36-68(74)80-76(60-32-14-24-50-20-6-8-26-56(50)60)66-30-12-10-28-64(66)72(78(70)80)54-40-38-48-18-2-4-22-52(48)46-54/h1-70H;1-62H;1-46H.
What are the key properties of 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene?
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene has a molecular weight of 3686.64 g/mol, XLogP of 81.74, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene is sourced from PubChem (CID 162198422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).