11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene

C73H54N4 — CID 140920463

IUPAC11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene
SMILES[2H]C1(c2cc3c(cc2-c2ncc(C4([2H])CCCC4)c(-c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)n2)-c2ccccc2-c2ccccc2-c2ncccc2-3)CCCC1
InChIInChI=1S/C73H54N4/c1-2-19-45(18-1)62-42-66-61-32-17-39-74-72(61)60-31-12-11-25-52(60)51-24-7-10-28-55(51)65(66)43-67(62)73-75-44-68(46-20-3-4-21-46)71(76-73)47-35-37-56-57-38-36-48(77-69-33-15-13-29-58(69)59-30-14-16-34-70(59)77)41-64(57)54-27-9-6-23-50(54)49-22-5-8-26-53(49)63(56)40-47/h5-17,22-46H,1-4,18-21H2/b50-49-,52-51-,57-56-,63-53-,64-54-,65-55-,66-61-,72-60+/i45D,46D
InChIKeyNVZBCBUVHBSXOY-QLILXYHZSA-N
MW989.28 g/mol
LogP19.58
Rot. Bonds5

About 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene

11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 140920463) has the molecular formula C73H54N4 and a molecular weight of 989.28 g/mol. Its IUPAC name is 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene
PubChem CID140920463
Molecular FormulaC73H54N4
Molecular Weight989.28 g/mol
Exact Mass988.45
IUPAC Name11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene
SMILES[2H]C1(c2cc3c(cc2-c2ncc(C4([2H])CCCC4)c(-c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)n2)-c2ccccc2-c2ccccc2-c2ncccc2-3)CCCC1
InChIInChI=1S/C73H54N4/c1-2-19-45(18-1)62-42-66-61-32-17-39-74-72(61)60-31-12-11-25-52(60)51-24-7-10-28-55(51)65(66)43-67(62)73-75-44-68(46-20-3-4-21-46)71(76-73)47-35-37-56-57-38-36-48(77-69-33-15-13-29-58(69)59-30-14-16-34-70(59)77)41-64(57)54-27-9-6-23-50(54)49-22-5-8-26-53(49)63(56)40-47/h5-17,22-46H,1-4,18-21H2/b50-49-,52-51-,57-56-,63-53-,64-54-,65-55-,66-61-,72-60+/i45D,46D
InChIKeyNVZBCBUVHBSXOY-QLILXYHZSA-N
XLogP19.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.28
LogP ≤ 519.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene with MolForge

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Related Compounds

11-[6-(7-carbazol-9-yltetraphenylen-2-yl)-3,5-bis(trideuteriomethyl)pyrazin-2-yl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene;11-[6-(7-carbazol-9-yltetraphenylen-2-yl)-3,5-bis(trideuteriomethyl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene;11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(trideuteriomethyl)pyrimidin-2-yl]-10-(trideuteriomethyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene
CID 158870150
11-[6-(7-carbazol-9-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene
CID 140920345
10-pyrido[2,3-b]indol-9-yl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
CID 140920315
10-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 134428704
11,16-di(carbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
CID 134428203
9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene
CID 140932114
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
10-tert-butyl-11-[5-tert-butyl-4-(7-carbazol-9-yltetraphenylen-2-yl)pyrimidin-2-yl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene;10-[2-tert-butyl-3-(7-carbazol-9-yltetraphenylen-2-yl)phenyl]-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene;11-carbazol-9-yl-6-[3-tetraphenylen-2-yl-2-(trideuteriomethyl)phenyl]tetraphenylene-2-carbonitrile;2-[7-carbazol-9-yl-1-(trideuteriomethyl)tetraphenylen-2-yl]-6-[12-(trideuteriomethyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl]benzonitrile
CID 161336954
11-carbazol-9-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 137294852
9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole
CID 166504730
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996

Frequently Asked Questions

What is the IUPAC name of 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene?
The IUPAC name of 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene (CID 140920463) is 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene is [2H]C1(c2cc3c(cc2-c2ncc(C4([2H])CCCC4)c(-c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)n2)-c2ccccc2-c2ccccc2-c2ncccc2-3)CCCC1.
What is the InChIKey of 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene?
The InChIKey is NVZBCBUVHBSXOY-QLILXYHZSA-N. The full InChI is InChI=1S/C73H54N4/c1-2-19-45(18-1)62-42-66-61-32-17-39-74-72(61)60-31-12-11-25-52(60)51-24-7-10-28-55(51)65(66)43-67(62)73-75-44-68(46-20-3-4-21-46)71(76-73)47-35-37-56-57-38-36-48(77-69-33-15-13-29-58(69)59-30-14-16-34-70(59)77)41-64(57)54-27-9-6-23-50(54)49-22-5-8-26-53(49)63(56)40-47/h5-17,22-46H,1-4,18-21H2/b50-49-,52-51-,57-56-,63-53-,64-54-,65-55-,66-61-,72-60+/i45D,46D.
What are the key properties of 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene?
11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 989.28 g/mol, XLogP of 19.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 140920463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).