6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C38H29NO — CID 134172550

IUPAC6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESCC/C=C\C1=C(C)c2c(ccc3ccccc23)C1c1cccc2c1Oc1cccc3c1C2C(c1ccccc1)=N3
InChIInChI=1S/C38H29NO/c1-3-4-15-26-23(2)33-27-16-9-8-12-24(27)21-22-28(33)34(26)29-17-10-18-30-35-36-31(19-11-20-32(36)40-38(29)30)39-37(35)25-13-6-5-7-14-25/h4-22,34-35H,3H2,1-2H3/b15-4-
InChIKeyVWJVTNVXFKSGQG-TVPGTPATSA-N
MW515.66 g/mol
LogP10.10
Rot. Bonds4

About 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 134172550) has the molecular formula C38H29NO and a molecular weight of 515.66 g/mol. Its IUPAC name is 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

Compound Name6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
PubChem CID134172550
Molecular FormulaC38H29NO
Molecular Weight515.66 g/mol
Exact Mass515.22
IUPAC Name6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESCC/C=C\C1=C(C)c2c(ccc3ccccc23)C1c1cccc2c1Oc1cccc3c1C2C(c1ccccc1)=N3
InChIInChI=1S/C38H29NO/c1-3-4-15-26-23(2)33-27-16-9-8-12-24(27)21-22-28(33)34(26)29-17-10-18-30-35-36-31(19-11-20-32(36)40-38(29)30)39-37(35)25-13-6-5-7-14-25/h4-22,34-35H,3H2,1-2H3/b15-4-
InChIKeyVWJVTNVXFKSGQG-TVPGTPATSA-N
XLogP10.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene with MolForge

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Related Compounds

6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 134172365
6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol
CID 166441311
2-[4-(10-phenylanthracen-9-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578133
13-(3-methylphenyl)-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102516616
2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-3-phenyl-3H-indole
CID 169302059
12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene
CID 154964818
6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 176994638
ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 917052
methane;3-(13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 158501337
2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 155115035
1-phenyl-2-propylnaphthalene
CID 102463751
6-(3-methylphenyl)-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 4020525

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The IUPAC name of 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 134172550) is 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.
What is the SMILES notation for 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The canonical SMILES for 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is CC/C=C\C1=C(C)c2c(ccc3ccccc23)C1c1cccc2c1Oc1cccc3c1C2C(c1ccccc1)=N3.
What is the InChIKey of 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The InChIKey is VWJVTNVXFKSGQG-TVPGTPATSA-N. The full InChI is InChI=1S/C38H29NO/c1-3-4-15-26-23(2)33-27-16-9-8-12-24(27)21-22-28(33)34(26)29-17-10-18-30-35-36-31(19-11-20-32(36)40-38(29)30)39-37(35)25-13-6-5-7-14-25/h4-22,34-35H,3H2,1-2H3/b15-4-.
What are the key properties of 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 515.66 g/mol, XLogP of 10.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(Z)-but-1-enyl]-1-methyl-3H-cyclopenta[a]naphthalen-3-yl]-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 134172550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).