1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene

C194H248O8 — CID 19870207

IUPAC1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene
SMILESCCCCCCCCCOc1ccc(-c2ccc(CCc3c(CCc4ccc(-c5ccc(OCCCCCCCCC)cc5)cc4)c(CCc4ccc(-c5ccc(OCCCCCCCCC)cc5)cc4)c4c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c4c3CCc3ccc(-c4ccc(OCCCCCCCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C194H248O8/c1-9-17-25-33-41-49-57-145-195-177-121-105-169(106-122-177)161-89-65-153(66-90-161)81-137-185-186(138-82-154-67-91-162(92-68-154)170-107-123-178(124-108-170)196-146-58-50-42-34-26-18-10-2)190(142-86-158-75-99-166(100-76-158)174-115-131-182(132-116-174)200-150-62-54-46-38-30-22-14-6)194-192(144-88-160-79-103-168(104-80-160)176-119-135-184(136-120-176)202-152-64-56-48-40-32-24-16-8)188(140-84-156-71-95-164(96-72-156)172-111-127-180(128-112-172)198-148-60-52-44-36-28-20-12-4)187(139-83-155-69-93-163(94-70-155)171-109-125-179(126-110-171)197-147-59-51-43-35-27-19-11-3)191(143-87-159-77-101-167(102-78-159)175-117-133-183(134-118-175)201-151-63-55-47-39-31-23-15-7)193(194)189(185)141-85-157-73-97-165(98-74-157)173-113-129-181(130-114-173)199-149-61-53-45-37-29-21-13-5/h65-80,89-136H,9-64,81-88,137-152H2,1-8H3
InChIKeyJFEVNGUWMUVSLR-UHFFFAOYSA-N
MW2708.11 g/mol
LogP55.49
Rot. Bonds104

About 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene

1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene (PubChem CID 19870207) has the molecular formula C194H248O8 and a molecular weight of 2708.11 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene
PubChem CID19870207
Molecular FormulaC194H248O8
Molecular Weight2708.11 g/mol
Exact Mass2705.90
IUPAC Name1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene
SMILESCCCCCCCCCOc1ccc(-c2ccc(CCc3c(CCc4ccc(-c5ccc(OCCCCCCCCC)cc5)cc4)c(CCc4ccc(-c5ccc(OCCCCCCCCC)cc5)cc4)c4c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c4c3CCc3ccc(-c4ccc(OCCCCCCCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C194H248O8/c1-9-17-25-33-41-49-57-145-195-177-121-105-169(106-122-177)161-89-65-153(66-90-161)81-137-185-186(138-82-154-67-91-162(92-68-154)170-107-123-178(124-108-170)196-146-58-50-42-34-26-18-10-2)190(142-86-158-75-99-166(100-76-158)174-115-131-182(132-116-174)200-150-62-54-46-38-30-22-14-6)194-192(144-88-160-79-103-168(104-80-160)176-119-135-184(136-120-176)202-152-64-56-48-40-32-24-16-8)188(140-84-156-71-95-164(96-72-156)172-111-127-180(128-112-172)198-148-60-52-44-36-28-20-12-4)187(139-83-155-69-93-163(94-70-155)171-109-125-179(126-110-171)197-147-59-51-43-35-27-19-11-3)191(143-87-159-77-101-167(102-78-159)175-117-133-183(134-118-175)201-151-63-55-47-39-31-23-15-7)193(194)189(185)141-85-157-73-97-165(98-74-157)173-113-129-181(130-114-173)199-149-61-53-45-37-29-21-13-5/h65-80,89-136H,9-64,81-88,137-152H2,1-8H3
InChIKeyJFEVNGUWMUVSLR-UHFFFAOYSA-N
XLogP55.49
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds104
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002708.11
LogP ≤ 555.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
4-[2-[4-(4-octoxyphenyl)phenyl]ethyl]benzonitrile
CID 71401201
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
1-(chloromethyl)-4-(4-decoxyphenyl)benzene
CID 14794612
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
pentakis(4-[2-(4-hexoxyphenyl)ethyl]benzenethiol);pentahydrofluoride
CID 173376407
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-butoxy-4-[4-(3-chloropropyl)phenyl]benzene
CID 19789115
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 19107873

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene?
The IUPAC name of 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene (CID 19870207) is 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene is CCCCCCCCCOc1ccc(-c2ccc(CCc3c(CCc4ccc(-c5ccc(OCCCCCCCCC)cc5)cc4)c(CCc4ccc(-c5ccc(OCCCCCCCCC)cc5)cc4)c4c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c(CCc5ccc(-c6ccc(OCCCCCCCCC)cc6)cc5)c4c3CCc3ccc(-c4ccc(OCCCCCCCCC)cc4)cc3)cc2)cc1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene?
The InChIKey is JFEVNGUWMUVSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C194H248O8/c1-9-17-25-33-41-49-57-145-195-177-121-105-169(106-122-177)161-89-65-153(66-90-161)81-137-185-186(138-82-154-67-91-162(92-68-154)170-107-123-178(124-108-170)196-146-58-50-42-34-26-18-10-2)190(142-86-158-75-99-166(100-76-158)174-115-131-182(132-116-174)200-150-62-54-46-38-30-22-14-6)194-192(144-88-160-79-103-168(104-80-160)176-119-135-184(136-120-176)202-152-64-56-48-40-32-24-16-8)188(140-84-156-71-95-164(96-72-156)172-111-127-180(128-112-172)198-148-60-52-44-36-28-20-12-4)187(139-83-155-69-93-163(94-70-155)171-109-125-179(126-110-171)197-147-59-51-43-35-27-19-11-3)191(143-87-159-77-101-167(102-78-159)175-117-133-183(134-118-175)201-151-63-55-47-39-31-23-15-7)193(194)189(185)141-85-157-73-97-165(98-74-157)173-113-129-181(130-114-173)199-149-61-53-45-37-29-21-13-5/h65-80,89-136H,9-64,81-88,137-152H2,1-8H3.
What are the key properties of 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene?
1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene has a molecular weight of 2708.11 g/mol, XLogP of 55.49, 104 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octakis[2-[4-(4-nonoxyphenyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 19870207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).