3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene

C180H216 — CID 58876415

IUPAC3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc4c(c3)C(CC(C)CC)(CC(C)CC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(CC(CC)CCCC)(CC(CC)CCCC)c6cc(-c8ccc9c(c8)C(CC(C)CC)(CC(C)CC)c8cc(-c%10ccc%11c(c%10)C(CC(C)CC)(CC(C)CC)c%10cc(CCCc%12cccc(C)c%12)ccc%10-%11)ccc8-9)ccc6-7)c6cccc(c7cccc3c74)c65)cc21
InChIInChI=1S/C180H216/c1-26-42-53-125(38-13)112-179(113-126(39-14)54-43-27-2)169-100-137(135-71-82-149-147-80-69-133(96-165(147)177(167(149)98-135,108-120(21)34-9)109-121(22)35-10)131-67-78-145-143-60-46-47-65-161(143)175(163(145)94-131,104-116(17)30-5)105-117(18)31-6)73-84-151(169)153-86-75-139(102-171(153)179)141-88-90-159-160-91-89-142(156-62-51-64-158(174(156)160)157-63-50-61-155(141)173(157)159)140-76-87-154-152-85-74-138(101-170(152)180(172(154)103-140,114-127(40-15)55-44-28-3)115-128(41-16)56-45-29-4)136-72-83-150-148-81-70-134(97-166(148)178(168(150)99-136,110-122(23)36-11)111-123(24)37-12)132-68-79-146-144-77-66-130(59-49-58-129-57-48-52-124(25)92-129)93-162(144)176(164(146)95-132,106-118(19)32-7)107-119(20)33-8/h46-48,50-52,57,60-103,116-123,125-128H,26-45,49,53-56,58-59,104-115H2,1-25H3
InChIKeyKUJAHPLONBBHMI-UHFFFAOYSA-N
MW2379.71 g/mol
LogP53.74
Rot. Bonds58

About 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene

3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene (PubChem CID 58876415) has the molecular formula C180H216 and a molecular weight of 2379.71 g/mol. Its IUPAC name is 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene.

Molecular Properties

Compound Name3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene
PubChem CID58876415
Molecular FormulaC180H216
Molecular Weight2379.71 g/mol
Exact Mass2377.69
IUPAC Name3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc4c(c3)C(CC(C)CC)(CC(C)CC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(CC(CC)CCCC)(CC(CC)CCCC)c6cc(-c8ccc9c(c8)C(CC(C)CC)(CC(C)CC)c8cc(-c%10ccc%11c(c%10)C(CC(C)CC)(CC(C)CC)c%10cc(CCCc%12cccc(C)c%12)ccc%10-%11)ccc8-9)ccc6-7)c6cccc(c7cccc3c74)c65)cc21
InChIInChI=1S/C180H216/c1-26-42-53-125(38-13)112-179(113-126(39-14)54-43-27-2)169-100-137(135-71-82-149-147-80-69-133(96-165(147)177(167(149)98-135,108-120(21)34-9)109-121(22)35-10)131-67-78-145-143-60-46-47-65-161(143)175(163(145)94-131,104-116(17)30-5)105-117(18)31-6)73-84-151(169)153-86-75-139(102-171(153)179)141-88-90-159-160-91-89-142(156-62-51-64-158(174(156)160)157-63-50-61-155(141)173(157)159)140-76-87-154-152-85-74-138(101-170(152)180(172(154)103-140,114-127(40-15)55-44-28-3)115-128(41-16)56-45-29-4)136-72-83-150-148-81-70-134(97-166(148)178(168(150)99-136,110-122(23)36-11)111-123(24)37-12)132-68-79-146-144-77-66-130(59-49-58-129-57-48-52-124(25)92-129)93-162(144)176(164(146)95-132,106-118(19)32-7)107-119(20)33-8/h46-48,50-52,57,60-103,116-123,125-128H,26-45,49,53-56,58-59,104-115H2,1-25H3
InChIKeyKUJAHPLONBBHMI-UHFFFAOYSA-N
XLogP53.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds58
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002379.71
LogP ≤ 553.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene?
The IUPAC name of 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene (CID 58876415) is 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene.
What is the SMILES notation for 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene?
The canonical SMILES for 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene is CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc4c(c3)C(CC(C)CC)(CC(C)CC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(CC(CC)CCCC)(CC(CC)CCCC)c6cc(-c8ccc9c(c8)C(CC(C)CC)(CC(C)CC)c8cc(-c%10ccc%11c(c%10)C(CC(C)CC)(CC(C)CC)c%10cc(CCCc%12cccc(C)c%12)ccc%10-%11)ccc8-9)ccc6-7)c6cccc(c7cccc3c74)c65)cc21.
What is the InChIKey of 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene?
The InChIKey is KUJAHPLONBBHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C180H216/c1-26-42-53-125(38-13)112-179(113-126(39-14)54-43-27-2)169-100-137(135-71-82-149-147-80-69-133(96-165(147)177(167(149)98-135,108-120(21)34-9)109-121(22)35-10)131-67-78-145-143-60-46-47-65-161(143)175(163(145)94-131,104-116(17)30-5)105-117(18)31-6)73-84-151(169)153-86-75-139(102-171(153)179)141-88-90-159-160-91-89-142(156-62-51-64-158(174(156)160)157-63-50-61-155(141)173(157)159)140-76-87-154-152-85-74-138(101-170(152)180(172(154)103-140,114-127(40-15)55-44-28-3)115-128(41-16)56-45-29-4)136-72-83-150-148-81-70-134(97-166(148)178(168(150)99-136,110-122(23)36-11)111-123(24)37-12)132-68-79-146-144-77-66-130(59-49-58-129-57-48-52-124(25)92-129)93-162(144)176(164(146)95-132,106-118(19)32-7)107-119(20)33-8/h46-48,50-52,57,60-103,116-123,125-128H,26-45,49,53-56,58-59,104-115H2,1-25H3.
What are the key properties of 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene?
3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene has a molecular weight of 2379.71 g/mol, XLogP of 53.74, 58 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene is sourced from PubChem (CID 58876415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).