31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide

C68H47N9 — CID 89303909

IUPAC31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide
SMILESC=C/C=C(\N=C(\N)n1c2ccccc2c2ccc3c4ccc5c(c4n(-c4ccccc4)c3c21)N(c1ccccc1)C1c2c(c3ccccc3n2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C=CC51)c1ccccc1
InChIInChI=1S/C68H47N9/c1-2-22-56(43-23-8-3-9-24-43)70-67(69)76-57-35-20-18-33-48(57)50-37-39-54-52-41-42-53-55-40-38-51-49-34-19-21-36-58(49)77(68-72-65(44-25-10-4-11-26-44)71-66(73-68)45-27-12-5-13-28-45)64(51)62(55)75(47-31-16-7-17-32-47)60(53)59(52)74(61(54)63(50)76)46-29-14-6-15-30-46/h2-42,55,62H,1H2,(H2,69,70)/b56-22-
InChIKeyOEUBIIMYJMTCNH-GJVOSNTJSA-N
MW990.19 g/mol
LogP15.75
Rot. Bonds8

About 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide

31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide (PubChem CID 89303909) has the molecular formula C68H47N9 and a molecular weight of 990.19 g/mol. Its IUPAC name is 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide.

Molecular Properties

Compound Name31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide
PubChem CID89303909
Molecular FormulaC68H47N9
Molecular Weight990.19 g/mol
Exact Mass989.40
IUPAC Name31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide
SMILESC=C/C=C(\N=C(\N)n1c2ccccc2c2ccc3c4ccc5c(c4n(-c4ccccc4)c3c21)N(c1ccccc1)C1c2c(c3ccccc3n2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C=CC51)c1ccccc1
InChIInChI=1S/C68H47N9/c1-2-22-56(43-23-8-3-9-24-43)70-67(69)76-57-35-20-18-33-48(57)50-37-39-54-52-41-42-53-55-40-38-51-49-34-19-21-36-58(49)77(68-72-65(44-25-10-4-11-26-44)71-66(73-68)45-27-12-5-13-28-45)64(51)62(55)75(47-31-16-7-17-32-47)60(53)59(52)74(61(54)63(50)76)46-29-14-6-15-30-46/h2-42,55,62H,1H2,(H2,69,70)/b56-22-
InChIKeyOEUBIIMYJMTCNH-GJVOSNTJSA-N
XLogP15.75
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.19
LogP ≤ 515.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide 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

31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene-6-carboximidamide
CID 89303822
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole
CID 87486905
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 139479529
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 123849393
11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 167285574
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
(4aR)-12-(3-phenylphenyl)-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170023088
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene
CID 170210118
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenyl-6b,10a-dihydroindolo[2,3-a]carbazole
CID 123495485
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazole
CID 134271208

Frequently Asked Questions

What is the IUPAC name of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide?
The IUPAC name of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide (CID 89303909) is 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide.
What is the SMILES notation for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide?
The canonical SMILES for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide is C=C/C=C(\N=C(\N)n1c2ccccc2c2ccc3c4ccc5c(c4n(-c4ccccc4)c3c21)N(c1ccccc1)C1c2c(c3ccccc3n2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C=CC51)c1ccccc1.
What is the InChIKey of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide?
The InChIKey is OEUBIIMYJMTCNH-GJVOSNTJSA-N. The full InChI is InChI=1S/C68H47N9/c1-2-22-56(43-23-8-3-9-24-43)70-67(69)76-57-35-20-18-33-48(57)50-37-39-54-52-41-42-53-55-40-38-51-49-34-19-21-36-58(49)77(68-72-65(44-25-10-4-11-26-44)71-66(73-68)45-27-12-5-13-28-45)64(51)62(55)75(47-31-16-7-17-32-47)60(53)59(52)74(61(54)63(50)76)46-29-14-6-15-30-46/h2-42,55,62H,1H2,(H2,69,70)/b56-22-.
What are the key properties of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide?
31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide has a molecular weight of 990.19 g/mol, XLogP of 15.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-N'-[(1Z)-1-phenylbuta-1,3-dienyl]-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,22,24(32),25,27,29-tetradecaene-6-carboximidamide is sourced from PubChem (CID 89303909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).