CID 102263484

C156H165N15 — CID 102263484

IUPAC—
SMILESCC(C)(C)c1cc(-c2c3nc(c4c5ccc([nH]5)c(c5nc(c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc2[nH]6)C=C5)c2ccc([nH]2)c2c5nc(c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc([nH]6)c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6nc(c(c7ccc2[nH]7)c2ccc([nH]2)c2c7nc(c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccc([nH]8)c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8nc(c(c9ccc2[nH]9)c2ccc4[nH]2)C=C8)C=C7)C=C6)C=C5)C=C3)cc(C(C)(C)C)c1
InChIInChI=1S/C156H165N15/c1-145(2,3)91-67-85(68-92(79-91)146(4,5)6)133-103-37-38-104(157-103)134(86-69-93(147(7,8)9)80-94(70-86)148(10,11)12)110-44-50-116(161-110)140-122-56-55-121(166-122)139(115-49-43-109(133)160-115)127-61-62-128(169-127)141-117-51-45-111(162-117)135(87-71-95(149(13,14)15)81-96(72-87)150(16,17)18)105-39-40-106(158-105)136(88-73-97(151(19,20)21)82-98(74-88)152(22,23)24)112-46-52-118(163-112)142(124-58-57-123(141)167-124)131-65-66-132(171-131)144-120-54-48-114(165-120)138(90-77-101(155(31,32)33)84-102(78-90)156(34,35)36)108-42-41-107(159-108)137(89-75-99(153(25,26)27)83-100(76-89)154(28,29)30)113-47-53-119(164-113)143(125-59-60-126(144)168-125)130-64-63-129(140)170-130/h37-84,157-159,166-171H,1-36H3/b133-103-,133-109-,134-104-,134-110-,135-105-,135-111-,136-106+,136-112-,137-107-,137-113-,138-108+,138-114-,139-115-,139-121-,139-127+,140-116-,140-122-,140-129+,141-117-,141-123+,141-128+,142-118+,142-124+,142-131+,143-119-,143-125+,143-130+,144-120+,144-126+,144-132+
InChIKeyKGFCXCIVKYFFOP-CSMWVNGHSA-N
MW2250.14 g/mol
LogP42.76
Rot. Bonds6

About CID 102263484

CID 102263484 (PubChem CID 102263484) has the molecular formula C156H165N15 and a molecular weight of 2250.14 g/mol.

Molecular Properties

Compound NameCID 102263484
PubChem CID102263484
Molecular FormulaC156H165N15
Molecular Weight2250.14 g/mol
Exact Mass2248.34
IUPAC Name—
SMILESCC(C)(C)c1cc(-c2c3nc(c4c5ccc([nH]5)c(c5nc(c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc2[nH]6)C=C5)c2ccc([nH]2)c2c5nc(c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc([nH]6)c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6nc(c(c7ccc2[nH]7)c2ccc([nH]2)c2c7nc(c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccc([nH]8)c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8nc(c(c9ccc2[nH]9)c2ccc4[nH]2)C=C8)C=C7)C=C6)C=C5)C=C3)cc(C(C)(C)C)c1
InChIInChI=1S/C156H165N15/c1-145(2,3)91-67-85(68-92(79-91)146(4,5)6)133-103-37-38-104(157-103)134(86-69-93(147(7,8)9)80-94(70-86)148(10,11)12)110-44-50-116(161-110)140-122-56-55-121(166-122)139(115-49-43-109(133)160-115)127-61-62-128(169-127)141-117-51-45-111(162-117)135(87-71-95(149(13,14)15)81-96(72-87)150(16,17)18)105-39-40-106(158-105)136(88-73-97(151(19,20)21)82-98(74-88)152(22,23)24)112-46-52-118(163-112)142(124-58-57-123(141)167-124)131-65-66-132(171-131)144-120-54-48-114(165-120)138(90-77-101(155(31,32)33)84-102(78-90)156(34,35)36)108-42-41-107(159-108)137(89-75-99(153(25,26)27)83-100(76-89)154(28,29)30)113-47-53-119(164-113)143(125-59-60-126(144)168-125)130-64-63-129(140)170-130/h37-84,157-159,166-171H,1-36H3/b133-103-,133-109-,134-104-,134-110-,135-105-,135-111-,136-106+,136-112-,137-107-,137-113-,138-108+,138-114-,139-115-,139-121-,139-127+,140-116-,140-122-,140-129+,141-117-,141-123+,141-128+,142-118+,142-124+,142-131+,143-119-,143-125+,143-130+,144-120+,144-126+,144-132+
InChIKeyKGFCXCIVKYFFOP-CSMWVNGHSA-N
XLogP42.76
TPSA219.45 Ų
H-Bond Donors9
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002250.14
LogP ≤ 542.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 106

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Related Compounds

5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 136773315
5,10,15-tris(3,5-ditert-butylphenyl)-20-iodo-21,23-dihydroporphyrin
CID 135491289
5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
CID 101057335
5,20-bis(3,5-ditert-butylphenyl)-10,15-bis(4-iodophenyl)-21,23-dihydroporphyrin
CID 135501292
5,10,15-tris(3,5-ditert-butylphenyl)-20-(4-ethynylphenyl)-21,23-dihydroporphyrin
CID 136691495
5,10,15-tris(3,5-ditert-butylphenyl)-20-(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 136729112
5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2,3-diamine
CID 135451953
15-[4-(bromomethyl)phenyl]-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin
CID 10235241
4-[4-[10-[4-(4-cyanophenyl)phenyl]-15,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]benzonitrile
CID 136812073
10,15,20,25,35,40,45,50-octakis(3,5-ditert-butylphenyl)-3,7,28,32,51,52,53,54,55,56,57,58-dodecazatridecacyclo[32.16.1.19,26.111,14.116,19.121,24.136,39.141,44.146,49.02,33.04,31.06,29.08,27]octapentaconta-1(50),2,4,6,8,10,12,14(58),15,17,19,21(56),22,24,26,28,30,32,34,36(54),37,39,41,43,45,47,49(52)-heptacosaene
CID 101423709
5,10,15-tris(4-tert-butylphenyl)-22,24-dihydro-21H-corrin
CID 74788342
2,7,12,17-tetrakis(3,5-ditert-butylphenyl)-20,27,29,30,31,32-hexazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.021,26]dotriaconta-1(29),2,4,6,8(31),9,11,13,15,17,19,21(26),27-tridecaene
CID 135415715

Frequently Asked Questions

What is the IUPAC name of CID 102263484?
The IUPAC name of CID 102263484 (CID 102263484) is not available.
What is the SMILES notation for CID 102263484?
The canonical SMILES for CID 102263484 is CC(C)(C)c1cc(-c2c3nc(c4c5ccc([nH]5)c(c5nc(c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc2[nH]6)C=C5)c2ccc([nH]2)c2c5nc(c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc([nH]6)c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6nc(c(c7ccc2[nH]7)c2ccc([nH]2)c2c7nc(c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccc([nH]8)c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8nc(c(c9ccc2[nH]9)c2ccc4[nH]2)C=C8)C=C7)C=C6)C=C5)C=C3)cc(C(C)(C)C)c1.
What is the InChIKey of CID 102263484?
The InChIKey is KGFCXCIVKYFFOP-CSMWVNGHSA-N. The full InChI is InChI=1S/C156H165N15/c1-145(2,3)91-67-85(68-92(79-91)146(4,5)6)133-103-37-38-104(157-103)134(86-69-93(147(7,8)9)80-94(70-86)148(10,11)12)110-44-50-116(161-110)140-122-56-55-121(166-122)139(115-49-43-109(133)160-115)127-61-62-128(169-127)141-117-51-45-111(162-117)135(87-71-95(149(13,14)15)81-96(72-87)150(16,17)18)105-39-40-106(158-105)136(88-73-97(151(19,20)21)82-98(74-88)152(22,23)24)112-46-52-118(163-112)142(124-58-57-123(141)167-124)131-65-66-132(171-131)144-120-54-48-114(165-120)138(90-77-101(155(31,32)33)84-102(78-90)156(34,35)36)108-42-41-107(159-108)137(89-75-99(153(25,26)27)83-100(76-89)154(28,29)30)113-47-53-119(164-113)143(125-59-60-126(144)168-125)130-64-63-129(140)170-130/h37-84,157-159,166-171H,1-36H3/b133-103-,133-109-,134-104-,134-110-,135-105-,135-111-,136-106+,136-112-,137-107-,137-113-,138-108+,138-114-,139-115-,139-121-,139-127+,140-116-,140-122-,140-129+,141-117-,141-123+,141-128+,142-118+,142-124+,142-131+,143-119-,143-125+,143-130+,144-120+,144-126+,144-132+.
What are the key properties of CID 102263484?
CID 102263484 has a molecular weight of 2250.14 g/mol, XLogP of 42.76, 6 rotatable bonds, 9 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102263484 is sourced from PubChem (CID 102263484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).