10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene

C53H34N4 — CID 163517791

IUPAC10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4c3c3ccccc3c3c5cccc6c7ccccc7n(c65)c34)nc(-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C53H34N4/c1-53(2)41-24-11-8-20-38(41)48-46(53)47(33-29-27-32(28-30-33)31-15-4-3-5-16-31)54-52(55-48)57-43-26-13-10-21-39(43)45-50(57)37-19-7-6-18-35(37)44-40-23-14-22-36-34-17-9-12-25-42(34)56(49(36)40)51(44)45/h3-30H,1-2H3
InChIKeyDIFYNIISGXYRFO-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.52
Rot. Bonds3

About 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene

10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene (PubChem CID 163517791) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene.

Molecular Properties

Compound Name10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene
PubChem CID163517791
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4c3c3ccccc3c3c5cccc6c7ccccc7n(c65)c34)nc(-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C53H34N4/c1-53(2)41-24-11-8-20-38(41)48-46(53)47(33-29-27-32(28-30-33)31-15-4-3-5-16-31)54-52(55-48)57-43-26-13-10-21-39(43)45-50(57)37-19-7-6-18-35(37)44-40-23-14-22-36-34-17-9-12-25-42(34)56(49(36)40)51(44)45/h3-30H,1-2H3
InChIKeyDIFYNIISGXYRFO-UHFFFAOYSA-N
XLogP13.52
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene with MolForge

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Related Compounds

12-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 130333810
11-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 130333933
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 122464922
5-[4-(3,5-diphenylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433547
10-(4-naphthalen-2-ylquinazolin-2-yl)-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene
CID 163570892
5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 130334038
4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118476770
9-(7,7-dimethylbenzo[e]perimidin-2-yl)-13-phenyl-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22,24,26,28-tetradecaene
CID 129299002
24,24-dimethyl-3-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593238
10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
CID 129194138
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433938

Frequently Asked Questions

What is the IUPAC name of 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene?
The IUPAC name of 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene (CID 163517791) is 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene.
What is the SMILES notation for 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene?
The canonical SMILES for 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene is CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4c3c3ccccc3c3c5cccc6c7ccccc7n(c65)c34)nc(-c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene?
The InChIKey is DIFYNIISGXYRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-53(2)41-24-11-8-20-38(41)48-46(53)47(33-29-27-32(28-30-33)31-15-4-3-5-16-31)54-52(55-48)57-43-26-13-10-21-39(43)45-50(57)37-19-7-6-18-35(37)44-40-23-14-22-36-34-17-9-12-25-42(34)56(49(36)40)51(44)45/h3-30H,1-2H3.
What are the key properties of 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene?
10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene has a molecular weight of 726.88 g/mol, XLogP of 13.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene is sourced from PubChem (CID 163517791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).