(E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol

C33H24N4O — CID 177409101

IUPAC(E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol
SMILESCc1ccc2nc(-c3ccccc3)c3c4c(C)nn(-c5ccccc5)c4n/c(=C(/O)c4ccccc4)c1c2-3
InChIInChI=1S/C33H24N4O/c1-20-18-19-25-28-26(20)31(32(38)23-14-8-4-9-15-23)35-33-27(21(2)36-37(33)24-16-10-5-11-17-24)29(28)30(34-25)22-12-6-3-7-13-22/h3-19,38H,1-2H3/b32-31+
InChIKeyWIWPAESBFDBZTL-QNEJGDQOSA-N
MW492.58 g/mol
LogP6.79
Rot. Bonds3

About (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol

(E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol (PubChem CID 177409101) has the molecular formula C33H24N4O and a molecular weight of 492.58 g/mol. Its IUPAC name is (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol.

Molecular Properties

Compound Name(E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol
PubChem CID177409101
Molecular FormulaC33H24N4O
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC Name(E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol
SMILESCc1ccc2nc(-c3ccccc3)c3c4c(C)nn(-c5ccccc5)c4n/c(=C(/O)c4ccccc4)c1c2-3
InChIInChI=1S/C33H24N4O/c1-20-18-19-25-28-26(20)31(32(38)23-14-8-4-9-15-23)35-33-27(21(2)36-37(33)24-16-10-5-11-17-24)29(28)30(34-25)22-12-6-3-7-13-22/h3-19,38H,1-2H3/b32-31+
InChIKeyWIWPAESBFDBZTL-QNEJGDQOSA-N
XLogP6.79
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol with MolForge

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Related Compounds

6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene
CID 102196244
5-[4-(dimethylamino)phenyl]-1,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[3,4-c]isoquinolin-6-one
CID 27036334
19-(4-methoxyphenyl)-14-methyl-16-phenyl-15,16,18-triazatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene
CID 53472994
4-(4-bromophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233387
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
2-[5-isocyano-6-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl]phenol
CID 156672541
4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline
CID 102055178
[4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]thiourea
CID 10862088
4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233396
6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 110171361

Frequently Asked Questions

What is the IUPAC name of (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol?
The IUPAC name of (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol (CID 177409101) is (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol.
What is the SMILES notation for (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol?
The canonical SMILES for (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol is Cc1ccc2nc(-c3ccccc3)c3c4c(C)nn(-c5ccccc5)c4n/c(=C(/O)c4ccccc4)c1c2-3.
What is the InChIKey of (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol?
The InChIKey is WIWPAESBFDBZTL-QNEJGDQOSA-N. The full InChI is InChI=1S/C33H24N4O/c1-20-18-19-25-28-26(20)31(32(38)23-14-8-4-9-15-23)35-33-27(21(2)36-37(33)24-16-10-5-11-17-24)29(28)30(34-25)22-12-6-3-7-13-22/h3-19,38H,1-2H3/b32-31+.
What are the key properties of (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol?
(E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol has a molecular weight of 492.58 g/mol, XLogP of 6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol is sourced from PubChem (CID 177409101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).