CID 102085627

C150H78 — CID 102085627

IUPAC—
SMILESc1ccc(-c2c3c4cccc5cccc(c3c(-c3ccccc3)c3c6ccc7c8c(-c9ccccc9)c9c%10ccc%11c%12c(-c%13ccccc%13)c%13c%14ccc%15c%16c(-c%17ccccc%17)c%17c%18ccc%19c%20c(-c%21ccccc%21)c%21c%22cccc%23cccc(c%21c(-c%21ccccc%21)c%20c%20ccc(c%17c(-c%17ccccc%17)c%16c%16ccc(c%13c(-c%13ccccc%13)c%12c%12ccc(c9c(-c9ccccc9)c8c8ccc(c23)c6c87)c%10c%12%11)c%14c%16%15)c%18c%20%19)c%23%22)c54)cc1
InChIInChI=1S/C150H78/c1-11-35-81(36-12-1)113-131-91-59-31-55-79-56-32-60-92(111(79)91)132(131)114(82-37-13-2-14-38-82)136-96-64-68-100-125-99(67-63-95(123(96)125)135(113)136)139-117(85-43-19-5-20-44-85)143-103-71-75-107-129-108(76-72-104(127(103)129)144(143)118(140(100)139)86-45-21-6-22-46-86)148-122(90-53-29-10-30-54-90)150-110-78-74-106-128-105(73-77-109(130(110)128)149(150)121(147(107)148)89-51-27-9-28-52-89)145-119(87-47-23-7-24-48-87)141-101-69-65-97-124-98(66-70-102(126(101)124)142(141)120(146(106)145)88-49-25-8-26-50-88)138-116(84-41-17-4-18-42-84)134-94-62-34-58-80-57-33-61-93(112(80)94)133(134)115(137(97)138)83-39-15-3-16-40-83/h1-78H
InChIKeyUUQLUKONWXRXML-UHFFFAOYSA-N
MW1880.27 g/mol
LogP42.72
Rot. Bonds10

About CID 102085627

CID 102085627 (PubChem CID 102085627) has the molecular formula C150H78 and a molecular weight of 1880.27 g/mol.

Molecular Properties

Compound NameCID 102085627
PubChem CID102085627
Molecular FormulaC150H78
Molecular Weight1880.27 g/mol
Exact Mass1878.61
IUPAC Name—
SMILESc1ccc(-c2c3c4cccc5cccc(c3c(-c3ccccc3)c3c6ccc7c8c(-c9ccccc9)c9c%10ccc%11c%12c(-c%13ccccc%13)c%13c%14ccc%15c%16c(-c%17ccccc%17)c%17c%18ccc%19c%20c(-c%21ccccc%21)c%21c%22cccc%23cccc(c%21c(-c%21ccccc%21)c%20c%20ccc(c%17c(-c%17ccccc%17)c%16c%16ccc(c%13c(-c%13ccccc%13)c%12c%12ccc(c9c(-c9ccccc9)c8c8ccc(c23)c6c87)c%10c%12%11)c%14c%16%15)c%18c%20%19)c%23%22)c54)cc1
InChIInChI=1S/C150H78/c1-11-35-81(36-12-1)113-131-91-59-31-55-79-56-32-60-92(111(79)91)132(131)114(82-37-13-2-14-38-82)136-96-64-68-100-125-99(67-63-95(123(96)125)135(113)136)139-117(85-43-19-5-20-44-85)143-103-71-75-107-129-108(76-72-104(127(103)129)144(143)118(140(100)139)86-45-21-6-22-46-86)148-122(90-53-29-10-30-54-90)150-110-78-74-106-128-105(73-77-109(130(110)128)149(150)121(147(107)148)89-51-27-9-28-52-89)145-119(87-47-23-7-24-48-87)141-101-69-65-97-124-98(66-70-102(126(101)124)142(141)120(146(106)145)88-49-25-8-26-50-88)138-116(84-41-17-4-18-42-84)134-94-62-34-58-80-57-33-61-93(112(80)94)133(134)115(137(97)138)83-39-15-3-16-40-83/h1-78H
InChIKeyUUQLUKONWXRXML-UHFFFAOYSA-N
XLogP42.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001880.27
LogP ≤ 542.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 102085627 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

7,14,25,37-tetraphenyltridecacyclo[21.18.2.22,5.127,31.03,19.04,16.06,15.08,13.020,42.024,38.026,36.039,43.035,44]hexatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26(36),27,29,31(44),32,34,37,39(43),40,45-tricosaene
CID 153474269
8-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 59642385
3,19-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11(30),12,14,16,19,21,23,25(29),26-pentadecaene
CID 22639653
17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene
CID 164754288
8,13-dimethyl-3,18-diphenylundecacyclo[21.12.2.29,12.124,28.02,19.04,17.05,10.011,16.020,36.033,37.032,38]tetraconta-1(36),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24,26,28(38),29,31,33(37),34,39-icosaene
CID 59090336
31,32-diphenylnonacyclo[16.14.0.02,9.03,8.010,17.011,16.019,30.022,29.023,28]dotriaconta-1(32),2(9),3,5,7,10(17),11,13,15,18,20,22(29),23,25,27,30-hexadecaene
CID 134945087
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
8-(3,5-diphenylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 59642382
9,13-ditert-butyl-3,19-diphenylundecacyclo[22.12.2.17,11.125,29.02,20.04,18.06,16.021,37.034,38.015,40.033,39]tetraconta-1(36),2,4(18),5,7,9,11,13,15(40),16,19,21(37),22,24(38),25,27,29(39),30,32,34-icosaene
CID 123915756
3,19-bis(2-phenylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene
CID 140785297
15-phenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5,7,9(30),10,12,15,17,19,21,23,25(29),26-pentadecaene
CID 58068210
3-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642464

Frequently Asked Questions

What is the IUPAC name of CID 102085627?
The IUPAC name of CID 102085627 (CID 102085627) is not available.
What is the SMILES notation for CID 102085627?
The canonical SMILES for CID 102085627 is c1ccc(-c2c3c4cccc5cccc(c3c(-c3ccccc3)c3c6ccc7c8c(-c9ccccc9)c9c%10ccc%11c%12c(-c%13ccccc%13)c%13c%14ccc%15c%16c(-c%17ccccc%17)c%17c%18ccc%19c%20c(-c%21ccccc%21)c%21c%22cccc%23cccc(c%21c(-c%21ccccc%21)c%20c%20ccc(c%17c(-c%17ccccc%17)c%16c%16ccc(c%13c(-c%13ccccc%13)c%12c%12ccc(c9c(-c9ccccc9)c8c8ccc(c23)c6c87)c%10c%12%11)c%14c%16%15)c%18c%20%19)c%23%22)c54)cc1.
What is the InChIKey of CID 102085627?
The InChIKey is UUQLUKONWXRXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H78/c1-11-35-81(36-12-1)113-131-91-59-31-55-79-56-32-60-92(111(79)91)132(131)114(82-37-13-2-14-38-82)136-96-64-68-100-125-99(67-63-95(123(96)125)135(113)136)139-117(85-43-19-5-20-44-85)143-103-71-75-107-129-108(76-72-104(127(103)129)144(143)118(140(100)139)86-45-21-6-22-46-86)148-122(90-53-29-10-30-54-90)150-110-78-74-106-128-105(73-77-109(130(110)128)149(150)121(147(107)148)89-51-27-9-28-52-89)145-119(87-47-23-7-24-48-87)141-101-69-65-97-124-98(66-70-102(126(101)124)142(141)120(146(106)145)88-49-25-8-26-50-88)138-116(84-41-17-4-18-42-84)134-94-62-34-58-80-57-33-61-93(112(80)94)133(134)115(137(97)138)83-39-15-3-16-40-83/h1-78H.
What are the key properties of CID 102085627?
CID 102085627 has a molecular weight of 1880.27 g/mol, XLogP of 42.72, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102085627 is sourced from PubChem (CID 102085627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).